Registration Dossier

Identification

Display Name:
Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation
EC Number:
946-433-7
CAS Number:
Not available
Molecular formula:
Not applicable for a natural complex substance (UVCB)
IUPAC Name:
Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation

Type of Substance

Composition:
UVCB
Origin:
other: NCS (Natural Complex Substance)

Substance Identifiers open all close all

  • 277-143-2
  • 277-143-2
  • 277-143-2
  • 946-433-7
  • 72968-50-4
  • 72968-50-4
  • 72968-50-4
  • 8014-17-3
  • 8014-17-3
  • Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distiliation
  • PETITGRAIN OIL
  • PETITGRAIN PARAGUAY EO ; PETITGRAIN PARAGUAY OIL
  • Petitgrain Oil, Petitgrain Oil (Paraguay), Petitgrain Oil (Bigarade), Petitgrain Oil (Terpeneless)
  • Petitgrain Paraguay oil
  • Compositions

    Boundary Composition(s) open all close all

    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    Linalyl acetate
    EC Number:
    204-116-4
    EC Name:
    Linalyl acetate
    CAS Number:
    115-95-7
    Molecular formula:
    C12H20O2
    IUPAC Name:
    3,7-dimethylocta-1,6-dien-3-yl acetate
    Constituent 2
    Chemical structure
    Reference substance name:
    Linalool
    EC Number:
    201-134-4
    EC Name:
    Linalool
    CAS Number:
    78-70-6
    Molecular formula:
    C10H18O
    IUPAC Name:
    3,7-Dimethylocta-1,6-dien-3-ol
    Constituent 3
    Chemical structure
    Reference substance name:
    Geraniol
    EC Number:
    203-377-1
    EC Name:
    Geraniol
    CAS Number:
    106-24-1
    Molecular formula:
    C10H18O
    IUPAC Name:
    (2E)-3,7-dimethylocta-2,6-dien-1-ol
    Constituent 4
    Chemical structure
    Reference substance name:
    p-menth-1-en-8-ol
    EC Number:
    202-680-6
    EC Name:
    p-menth-1-en-8-ol
    CAS Number:
    98-55-5
    Molecular formula:
    C10H18O
    IUPAC Name:
    2-(4-methyl-1-cyclohex-3-enyl)propan-2-ol
    Constituent 5
    Chemical structure
    Reference substance name:
    Geranyl acetate
    EC Number:
    203-341-5
    EC Name:
    Geranyl acetate
    CAS Number:
    105-87-3
    Molecular formula:
    C12H20O2
    IUPAC Name:
    3,7-dimethylocta-2,6-dien-1-yl acetate
    Constituent 6
    Chemical structure
    Reference substance name:
    (±)-1-methyl-4-(1-methylvinyl)cyclohexene
    EC Number:
    231-732-0
    EC Name:
    (±)-1-methyl-4-(1-methylvinyl)cyclohexene
    CAS Number:
    7705-14-8
    Molecular formula:
    C10H16
    IUPAC Name:
    1-methyl-4-(methylvinyl)cyclohex-1-ene
    Constituent 7
    Chemical structure
    Reference substance name:
    7-methyl-3-methyleneocta-1,6-diene
    EC Number:
    204-622-5
    EC Name:
    7-methyl-3-methyleneocta-1,6-diene
    CAS Number:
    123-35-3
    Molecular formula:
    C10H16
    IUPAC Name:
    7-Methyl-3-methylene-1,6-octadiene
    Constituent 8
    Chemical structure
    Reference substance name:
    Citral
    EC Number:
    226-394-6
    EC Name:
    Citral
    CAS Number:
    5392-40-5
    Molecular formula:
    C10H16O
    IUPAC Name:
    3,7-dimethylocta-2,6-dienal
    Constituent 9
    Chemical structure
    Reference substance name:
    (Z)-3,7-dimethylocta-1,3,6,-triene
    EC Number:
    222-081-3
    EC Name:
    (Z)-3,7-dimethylocta-1,3,6,-triene
    CAS Number:
    3338-55-4
    Molecular formula:
    C10H16
    IUPAC Name:
    (Z)-3,7-dimethylocta-1,3,6,-triene
    Constituent 10
    Chemical structure
    Reference substance name:
    Nerol
    EC Number:
    203-378-7
    EC Name:
    Nerol
    CAS Number:
    106-25-2
    Molecular formula:
    C10H18O
    IUPAC Name:
    (2Z)-3,7-dimethylocta-2,6-dien-1-ol
    Constituent 11
    Chemical structure
    Reference substance name:
    Neryl acetate
    EC Number:
    205-459-2
    EC Name:
    Neryl acetate
    CAS Number:
    141-12-8
    Molecular formula:
    C12H20O2
    IUPAC Name:
    [(2Z)-3,7-dimethylocta-2,6-dienyl] acetate
    Constituent 12
    Chemical structure
    Reference substance name:
    Pin-2(10)-ene
    EC Number:
    204-872-5
    EC Name:
    Pin-2(10)-ene
    CAS Number:
    127-91-3
    Molecular formula:
    C10H16
    IUPAC Name:
    6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane
    Constituent 13
    Chemical structure
    Reference substance name:
    p-menth-1-en-8-yl acetate
    EC Number:
    201-265-7
    EC Name:
    p-menth-1-en-8-yl acetate
    CAS Number:
    80-26-2
    Molecular formula:
    C12H20O2
    IUPAC Name:
    2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl acetate
    Constituent 14
    Chemical structure
    Reference substance name:
    Caryophyllene
    EC Number:
    201-746-1
    EC Name:
    Caryophyllene
    CAS Number:
    87-44-5
    Molecular formula:
    C15H24
    IUPAC Name:
    [1R-(1R*,4E,9S*)]-4,11,11-trimethyl-8-methylene-Bicyclo[7.2.0]undec-4-ene
    Constituent 15
    Chemical structure
    Reference substance name:
    Pin-2(3)-ene
    EC Number:
    201-291-9
    EC Name:
    Pin-2(3)-ene
    CAS Number:
    80-56-8
    Molecular formula:
    C10H16
    IUPAC Name:
    4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
    Constituent 16
    Chemical structure
    Reference substance name:
    Thuj-4(10)-ene
    EC Number:
    222-212-4
    EC Name:
    Thuj-4(10)-ene
    CAS Number:
    3387-41-5
    Molecular formula:
    C10H16
    IUPAC Name:
    Bicyclo(3.1.0)hexane, 4-methylene-1-(1-methylethyl)
    Constituent 17
    Chemical structure
    Reference substance name:
    p-mentha-1,4(8)-diene
    EC Number:
    209-578-0
    EC Name:
    p-mentha-1,4(8)-diene
    CAS Number:
    586-62-9
    Molecular formula:
    C10H16
    IUPAC Name:
    4-isopropylidene-1-methylcyclohexene
    Constituent 18
    Chemical structure
    Reference substance name:
    p-cymene
    EC Number:
    202-796-7
    EC Name:
    p-cymene
    CAS Number:
    99-87-6
    Molecular formula:
    C10H14
    IUPAC Name:
    1-methyl-4-propan-2-ylbenzene
    Constituent 19
    Reference substance name:
    Unknown and other minor constituents of Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation
    IUPAC Name:
    Unknown and other minor constituents of Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation
    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    Linalyl acetate
    EC Number:
    204-116-4
    EC Name:
    Linalyl acetate
    CAS Number:
    115-95-7
    Molecular formula:
    C12H20O2
    IUPAC Name:
    3,7-dimethylocta-1,6-dien-3-yl acetate
    Constituent 2
    Chemical structure
    Reference substance name:
    Linalool
    EC Number:
    201-134-4
    EC Name:
    Linalool
    CAS Number:
    78-70-6
    Molecular formula:
    C10H18O
    IUPAC Name:
    3,7-Dimethylocta-1,6-dien-3-ol
    Constituent 3
    Chemical structure
    Reference substance name:
    p-menth-1-en-8-ol
    EC Number:
    202-680-6
    EC Name:
    p-menth-1-en-8-ol
    CAS Number:
    98-55-5
    Molecular formula:
    C10H18O
    IUPAC Name:
    2-(4-methyl-1-cyclohex-3-enyl)propan-2-ol
    Constituent 4
    Chemical structure
    Reference substance name:
    Geraniol
    EC Number:
    203-377-1
    EC Name:
    Geraniol
    CAS Number:
    106-24-1
    Molecular formula:
    C10H18O
    IUPAC Name:
    (2E)-3,7-dimethylocta-2,6-dien-1-ol
    Constituent 5
    Chemical structure
    Reference substance name:
    Geranyl acetate
    EC Number:
    203-341-5
    EC Name:
    Geranyl acetate
    CAS Number:
    105-87-3
    Molecular formula:
    C12H20O2
    IUPAC Name:
    3,7-dimethylocta-2,6-dien-1-yl acetate
    Constituent 6
    Chemical structure
    Reference substance name:
    (E)-3,7-dimethylocta-1,3,6-triene
    EC Number:
    223-241-5
    EC Name:
    (E)-3,7-dimethylocta-1,3,6-triene
    CAS Number:
    3779-61-1
    Molecular formula:
    C10H16
    IUPAC Name:
    (3E)-3,7-dimethylocta-1,3,6-triene
    Constituent 7
    Chemical structure
    Reference substance name:
    (Z)-3,7-dimethylocta-1,3,6,-triene
    EC Number:
    222-081-3
    EC Name:
    (Z)-3,7-dimethylocta-1,3,6,-triene
    CAS Number:
    3338-55-4
    Molecular formula:
    C10H16
    IUPAC Name:
    (Z)-3,7-dimethylocta-1,3,6,-triene
    Constituent 8
    Chemical structure
    Reference substance name:
    Neryl acetate
    EC Number:
    205-459-2
    EC Name:
    Neryl acetate
    CAS Number:
    141-12-8
    Molecular formula:
    C12H20O2
    IUPAC Name:
    [(2Z)-3,7-dimethylocta-2,6-dienyl] acetate
    Constituent 9
    Chemical structure
    Reference substance name:
    7-methyl-3-methyleneocta-1,6-diene
    EC Number:
    204-622-5
    EC Name:
    7-methyl-3-methyleneocta-1,6-diene
    CAS Number:
    123-35-3
    Molecular formula:
    C10H16
    IUPAC Name:
    7-Methyl-3-methylene-1,6-octadiene
    Constituent 10
    Chemical structure
    Reference substance name:
    Nerol
    EC Number:
    203-378-7
    EC Name:
    Nerol
    CAS Number:
    106-25-2
    Molecular formula:
    C10H18O
    IUPAC Name:
    (2Z)-3,7-dimethylocta-2,6-dien-1-ol
    Constituent 11
    Chemical structure
    Reference substance name:
    Pin-2(10)-ene
    EC Number:
    204-872-5
    EC Name:
    Pin-2(10)-ene
    CAS Number:
    127-91-3
    Molecular formula:
    C10H16
    IUPAC Name:
    6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane
    Constituent 12
    Chemical structure
    Reference substance name:
    (±)-1-methyl-4-(1-methylvinyl)cyclohexene
    EC Number:
    231-732-0
    EC Name:
    (±)-1-methyl-4-(1-methylvinyl)cyclohexene
    CAS Number:
    7705-14-8
    Molecular formula:
    C10H16
    IUPAC Name:
    1-methyl-4-(methylvinyl)cyclohex-1-ene
    Constituent 13
    Chemical structure
    Reference substance name:
    Citral
    EC Number:
    226-394-6
    EC Name:
    Citral
    CAS Number:
    5392-40-5
    Molecular formula:
    C10H16O
    IUPAC Name:
    3,7-dimethylocta-2,6-dienal
    Constituent 14
    Chemical structure
    Reference substance name:
    p-menth-1-en-8-yl acetate
    EC Number:
    201-265-7
    EC Name:
    p-menth-1-en-8-yl acetate
    CAS Number:
    80-26-2
    Molecular formula:
    C12H20O2
    IUPAC Name:
    2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl acetate
    Constituent 15
    Chemical structure
    Reference substance name:
    Caryophyllene
    EC Number:
    201-746-1
    EC Name:
    Caryophyllene
    CAS Number:
    87-44-5
    Molecular formula:
    C15H24
    IUPAC Name:
    [1R-(1R*,4E,9S*)]-4,11,11-trimethyl-8-methylene-Bicyclo[7.2.0]undec-4-ene
    Constituent 16
    Chemical structure
    Reference substance name:
    Pin-2(3)-ene
    EC Number:
    201-291-9
    EC Name:
    Pin-2(3)-ene
    CAS Number:
    80-56-8
    Molecular formula:
    C10H16
    IUPAC Name:
    4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
    Constituent 17
    Chemical structure
    Reference substance name:
    Thuj-4(10)-ene
    EC Number:
    222-212-4
    EC Name:
    Thuj-4(10)-ene
    CAS Number:
    3387-41-5
    Molecular formula:
    C10H16
    IUPAC Name:
    Bicyclo(3.1.0)hexane, 4-methylene-1-(1-methylethyl)
    Constituent 18
    Chemical structure
    Reference substance name:
    p-mentha-1,4(8)-diene
    EC Number:
    209-578-0
    EC Name:
    p-mentha-1,4(8)-diene
    CAS Number:
    586-62-9
    Molecular formula:
    C10H16
    IUPAC Name:
    4-isopropylidene-1-methylcyclohexene
    Constituent 19
    Reference substance name:
    Other minor and unknown constituents in Petitgrain Oil
    Molecular formula:
    Not applicable for other minor and unknown constituents in Petitgrain Oil
    IUPAC Name:
    Other minor and unknown constituents in Petitgrain Oil
    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    Linalyl acetate
    EC Number:
    204-116-4
    EC Name:
    Linalyl acetate
    CAS Number:
    115-95-7
    Molecular formula:
    C12H20O2
    IUPAC Name:
    3,7-dimethylocta-1,6-dien-3-yl acetate
    Constituent 2
    Chemical structure
    Reference substance name:
    Linalool
    EC Number:
    201-134-4
    EC Name:
    Linalool
    CAS Number:
    78-70-6
    Molecular formula:
    C10H18O
    IUPAC Name:
    3,7-Dimethylocta-1,6-dien-3-ol
    Constituent 3
    Chemical structure
    Reference substance name:
    Geraniol
    EC Number:
    203-377-1
    EC Name:
    Geraniol
    CAS Number:
    106-24-1
    Molecular formula:
    C10H18O
    IUPAC Name:
    (2E)-3,7-dimethylocta-2,6-dien-1-ol
    Constituent 4
    Chemical structure
    Reference substance name:
    p-menth-1-en-8-ol
    EC Number:
    202-680-6
    EC Name:
    p-menth-1-en-8-ol
    CAS Number:
    98-55-5
    Molecular formula:
    C10H18O
    IUPAC Name:
    2-(4-methyl-1-cyclohex-3-enyl)propan-2-ol
    Constituent 5
    Chemical structure
    Reference substance name:
    Geranyl acetate
    EC Number:
    203-341-5
    EC Name:
    Geranyl acetate
    CAS Number:
    105-87-3
    Molecular formula:
    C12H20O2
    IUPAC Name:
    3,7-dimethylocta-2,6-dien-1-yl acetate
    Constituent 6
    Chemical structure
    Reference substance name:
    (±)-1-methyl-4-(1-methylvinyl)cyclohexene
    EC Number:
    231-732-0
    EC Name:
    (±)-1-methyl-4-(1-methylvinyl)cyclohexene
    CAS Number:
    7705-14-8
    Molecular formula:
    C10H16
    IUPAC Name:
    1-methyl-4-(methylvinyl)cyclohex-1-ene
    Constituent 7
    Chemical structure
    Reference substance name:
    7-methyl-3-methyleneocta-1,6-diene
    EC Number:
    204-622-5
    EC Name:
    7-methyl-3-methyleneocta-1,6-diene
    CAS Number:
    123-35-3
    Molecular formula:
    C10H16
    IUPAC Name:
    7-Methyl-3-methylene-1,6-octadiene
    Constituent 8
    Chemical structure
    Reference substance name:
    Citral
    EC Number:
    226-394-6
    EC Name:
    Citral
    CAS Number:
    5392-40-5
    Molecular formula:
    C10H16O
    IUPAC Name:
    3,7-dimethylocta-2,6-dienal
    Constituent 9
    Chemical structure
    Reference substance name:
    (Z)-3,7-dimethylocta-1,3,6,-triene
    EC Number:
    222-081-3
    EC Name:
    (Z)-3,7-dimethylocta-1,3,6,-triene
    CAS Number:
    3338-55-4
    Molecular formula:
    C10H16
    IUPAC Name:
    (Z)-3,7-dimethylocta-1,3,6,-triene
    Constituent 10
    Chemical structure
    Reference substance name:
    Nerol
    EC Number:
    203-378-7
    EC Name:
    Nerol
    CAS Number:
    106-25-2
    Molecular formula:
    C10H18O
    IUPAC Name:
    (2Z)-3,7-dimethylocta-2,6-dien-1-ol
    Constituent 11
    Chemical structure
    Reference substance name:
    Neryl acetate
    EC Number:
    205-459-2
    EC Name:
    Neryl acetate
    CAS Number:
    141-12-8
    Molecular formula:
    C12H20O2
    IUPAC Name:
    [(2Z)-3,7-dimethylocta-2,6-dienyl] acetate
    Constituent 12
    Chemical structure
    Reference substance name:
    Pin-2(10)-ene
    EC Number:
    204-872-5
    EC Name:
    Pin-2(10)-ene
    CAS Number:
    127-91-3
    Molecular formula:
    C10H16
    IUPAC Name:
    6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane
    Constituent 13
    Chemical structure
    Reference substance name:
    p-menth-1-en-8-yl acetate
    EC Number:
    201-265-7
    EC Name:
    p-menth-1-en-8-yl acetate
    CAS Number:
    80-26-2
    Molecular formula:
    C12H20O2
    IUPAC Name:
    2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl acetate
    Constituent 14
    Chemical structure
    Reference substance name:
    Caryophyllene
    EC Number:
    201-746-1
    EC Name:
    Caryophyllene
    CAS Number:
    87-44-5
    Molecular formula:
    C15H24
    IUPAC Name:
    [1R-(1R*,4E,9S*)]-4,11,11-trimethyl-8-methylene-Bicyclo[7.2.0]undec-4-ene
    Constituent 15
    Chemical structure
    Reference substance name:
    Pin-2(3)-ene
    EC Number:
    201-291-9
    EC Name:
    Pin-2(3)-ene
    CAS Number:
    80-56-8
    Molecular formula:
    C10H16
    IUPAC Name:
    4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
    Constituent 16
    Chemical structure
    Reference substance name:
    Thuj-4(10)-ene
    EC Number:
    222-212-4
    EC Name:
    Thuj-4(10)-ene
    CAS Number:
    3387-41-5
    Molecular formula:
    C10H16
    IUPAC Name:
    Bicyclo(3.1.0)hexane, 4-methylene-1-(1-methylethyl)
    Constituent 17
    Chemical structure
    Reference substance name:
    p-mentha-1,4(8)-diene
    EC Number:
    209-578-0
    EC Name:
    p-mentha-1,4(8)-diene
    CAS Number:
    586-62-9
    Molecular formula:
    C10H16
    IUPAC Name:
    4-isopropylidene-1-methylcyclohexene
    Constituent 18
    Reference substance name:
    Unknown and other minor constituents of Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation
    IUPAC Name:
    Unknown and other minor constituents of Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation

    Legal Entity Composition(s) open all close all

    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    Linalyl acetate
    EC Number:
    204-116-4
    EC Name:
    Linalyl acetate
    CAS Number:
    115-95-7
    Molecular formula:
    C12H20O2
    IUPAC Name:
    3,7-dimethylocta-1,6-dien-3-yl acetate
    Constituent 2
    Chemical structure
    Reference substance name:
    Linalool
    EC Number:
    201-134-4
    EC Name:
    Linalool
    CAS Number:
    78-70-6
    Molecular formula:
    C10H18O
    IUPAC Name:
    3,7-Dimethylocta-1,6-dien-3-ol
    Constituent 3
    Chemical structure
    Reference substance name:
    Geraniol
    EC Number:
    203-377-1
    EC Name:
    Geraniol
    CAS Number:
    106-24-1
    Molecular formula:
    C10H18O
    IUPAC Name:
    (2E)-3,7-dimethylocta-2,6-dien-1-ol
    Constituent 4
    Chemical structure
    Reference substance name:
    p-menth-1-en-8-ol
    EC Number:
    202-680-6
    EC Name:
    p-menth-1-en-8-ol
    CAS Number:
    98-55-5
    Molecular formula:
    C10H18O
    IUPAC Name:
    2-(4-methyl-1-cyclohex-3-enyl)propan-2-ol
    Constituent 5
    Chemical structure
    Reference substance name:
    Geranyl acetate
    EC Number:
    203-341-5
    EC Name:
    Geranyl acetate
    CAS Number:
    105-87-3
    Molecular formula:
    C12H20O2
    IUPAC Name:
    3,7-dimethylocta-2,6-dien-1-yl acetate
    Constituent 6
    Chemical structure
    Reference substance name:
    (±)-1-methyl-4-(1-methylvinyl)cyclohexene
    EC Number:
    231-732-0
    EC Name:
    (±)-1-methyl-4-(1-methylvinyl)cyclohexene
    CAS Number:
    7705-14-8
    Molecular formula:
    C10H16
    IUPAC Name:
    1-methyl-4-(methylvinyl)cyclohex-1-ene
    Constituent 7
    Chemical structure
    Reference substance name:
    7-methyl-3-methyleneocta-1,6-diene
    EC Number:
    204-622-5
    EC Name:
    7-methyl-3-methyleneocta-1,6-diene
    CAS Number:
    123-35-3
    Molecular formula:
    C10H16
    IUPAC Name:
    7-Methyl-3-methylene-1,6-octadiene
    Constituent 8
    Chemical structure
    Reference substance name:
    Citral
    EC Number:
    226-394-6
    EC Name:
    Citral
    CAS Number:
    5392-40-5
    Molecular formula:
    C10H16O
    IUPAC Name:
    3,7-dimethylocta-2,6-dienal
    Constituent 9
    Chemical structure
    Reference substance name:
    (Z)-3,7-dimethylocta-1,3,6,-triene
    EC Number:
    222-081-3
    EC Name:
    (Z)-3,7-dimethylocta-1,3,6,-triene
    CAS Number:
    3338-55-4
    Molecular formula:
    C10H16
    IUPAC Name:
    (Z)-3,7-dimethylocta-1,3,6,-triene
    Constituent 10
    Chemical structure
    Reference substance name:
    Nerol
    EC Number:
    203-378-7
    EC Name:
    Nerol
    CAS Number:
    106-25-2
    Molecular formula:
    C10H18O
    IUPAC Name:
    (2Z)-3,7-dimethylocta-2,6-dien-1-ol
    Constituent 11
    Chemical structure
    Reference substance name:
    Neryl acetate
    EC Number:
    205-459-2
    EC Name:
    Neryl acetate
    CAS Number:
    141-12-8
    Molecular formula:
    C12H20O2
    IUPAC Name:
    [(2Z)-3,7-dimethylocta-2,6-dienyl] acetate
    Constituent 12
    Chemical structure
    Reference substance name:
    Pin-2(10)-ene
    EC Number:
    204-872-5
    EC Name:
    Pin-2(10)-ene
    CAS Number:
    127-91-3
    Molecular formula:
    C10H16
    IUPAC Name:
    6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane
    Constituent 13
    Chemical structure
    Reference substance name:
    p-menth-1-en-8-yl acetate
    EC Number:
    201-265-7
    EC Name:
    p-menth-1-en-8-yl acetate
    CAS Number:
    80-26-2
    Molecular formula:
    C12H20O2
    IUPAC Name:
    2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl acetate
    Constituent 14
    Chemical structure
    Reference substance name:
    Caryophyllene
    EC Number:
    201-746-1
    EC Name:
    Caryophyllene
    CAS Number:
    87-44-5
    Molecular formula:
    C15H24
    IUPAC Name:
    [1R-(1R*,4E,9S*)]-4,11,11-trimethyl-8-methylene-Bicyclo[7.2.0]undec-4-ene
    Constituent 15
    Chemical structure
    Reference substance name:
    Pin-2(3)-ene
    EC Number:
    201-291-9
    EC Name:
    Pin-2(3)-ene
    CAS Number:
    80-56-8
    Molecular formula:
    C10H16
    IUPAC Name:
    4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
    Constituent 16
    Chemical structure
    Reference substance name:
    Thuj-4(10)-ene
    EC Number:
    222-212-4
    EC Name:
    Thuj-4(10)-ene
    CAS Number:
    3387-41-5
    Molecular formula:
    C10H16
    IUPAC Name:
    Bicyclo(3.1.0)hexane, 4-methylene-1-(1-methylethyl)
    Constituent 17
    Chemical structure
    Reference substance name:
    p-mentha-1,4(8)-diene
    EC Number:
    209-578-0
    EC Name:
    p-mentha-1,4(8)-diene
    CAS Number:
    586-62-9
    Molecular formula:
    C10H16
    IUPAC Name:
    4-isopropylidene-1-methylcyclohexene
    Constituent 18
    Chemical structure
    Reference substance name:
    (E)-3,7-dimethylocta-1,3,6-triene
    EC Number:
    223-241-5
    EC Name:
    (E)-3,7-dimethylocta-1,3,6-triene
    CAS Number:
    3779-61-1
    Molecular formula:
    C10H16
    IUPAC Name:
    (3E)-3,7-dimethylocta-1,3,6-triene
    Constituent 19
    Reference substance name:
    Unknown and other minor constituents of Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation
    IUPAC Name:
    Unknown and other minor constituents of Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation
    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    Neryl acetate
    EC Number:
    205-459-2
    EC Name:
    Neryl acetate
    CAS Number:
    141-12-8
    Molecular formula:
    C12H20O2
    IUPAC Name:
    [(2Z)-3,7-dimethylocta-2,6-dienyl] acetate
    Constituent 2
    Chemical structure
    Reference substance name:
    Geranyl acetate
    EC Number:
    203-341-5
    EC Name:
    Geranyl acetate
    CAS Number:
    105-87-3
    Molecular formula:
    C12H20O2
    IUPAC Name:
    3,7-dimethylocta-2,6-dien-1-yl acetate
    Constituent 3
    Reference substance name:
    Unknown constituents
    Molecular formula:
    not applicable: unknown UVCB constituents
    IUPAC Name:
    Unknown constituents
    Constituent 4
    Chemical structure
    Reference substance name:
    p-mentha-1,4(8)-diene
    EC Number:
    209-578-0
    EC Name:
    p-mentha-1,4(8)-diene
    CAS Number:
    586-62-9
    Molecular formula:
    C10H16
    IUPAC Name:
    4-isopropylidene-1-methylcyclohexene
    Constituent 5
    Chemical structure
    Reference substance name:
    Thuj-4(10)-ene
    EC Number:
    222-212-4
    EC Name:
    Thuj-4(10)-ene
    CAS Number:
    3387-41-5
    Molecular formula:
    C10H16
    IUPAC Name:
    Bicyclo(3.1.0)hexane, 4-methylene-1-(1-methylethyl)
    Constituent 6
    Chemical structure
    Reference substance name:
    Pin-2(3)-ene
    EC Number:
    201-291-9
    EC Name:
    Pin-2(3)-ene
    CAS Number:
    80-56-8
    Molecular formula:
    C10H16
    IUPAC Name:
    4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
    Constituent 7
    Chemical structure
    Reference substance name:
    Caryophyllene
    EC Number:
    201-746-1
    EC Name:
    Caryophyllene
    CAS Number:
    87-44-5
    Molecular formula:
    C15H24
    IUPAC Name:
    [1R-(1R*,4E,9S*)]-4,11,11-trimethyl-8-methylene-Bicyclo[7.2.0]undec-4-ene
    Constituent 8
    Chemical structure
    Reference substance name:
    p-menth-1-en-8-yl acetate
    EC Number:
    201-265-7
    EC Name:
    p-menth-1-en-8-yl acetate
    CAS Number:
    80-26-2
    Molecular formula:
    C12H20O2
    IUPAC Name:
    2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl acetate
    Constituent 9
    Chemical structure
    Reference substance name:
    Pin-2(10)-ene
    EC Number:
    204-872-5
    EC Name:
    Pin-2(10)-ene
    CAS Number:
    127-91-3
    Molecular formula:
    C10H16
    IUPAC Name:
    6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane
    Constituent 10
    Chemical structure
    Reference substance name:
    Nerol
    EC Number:
    203-378-7
    EC Name:
    Nerol
    CAS Number:
    106-25-2
    Molecular formula:
    C10H18O
    IUPAC Name:
    (2Z)-3,7-dimethylocta-2,6-dien-1-ol
    Constituent 11
    Chemical structure
    Reference substance name:
    (Z)-3,7-dimethylocta-1,3,6,-triene
    EC Number:
    222-081-3
    EC Name:
    (Z)-3,7-dimethylocta-1,3,6,-triene
    CAS Number:
    3338-55-4
    Molecular formula:
    C10H16
    IUPAC Name:
    (Z)-3,7-dimethylocta-1,3,6,-triene
    Constituent 12
    Chemical structure
    Reference substance name:
    7-methyl-3-methyleneocta-1,6-diene
    EC Number:
    204-622-5
    EC Name:
    7-methyl-3-methyleneocta-1,6-diene
    CAS Number:
    123-35-3
    Molecular formula:
    C10H16
    IUPAC Name:
    7-Methyl-3-methylene-1,6-octadiene
    Constituent 13
    Chemical structure
    Reference substance name:
    (±)-1-methyl-4-(1-methylvinyl)cyclohexene
    EC Number:
    231-732-0
    EC Name:
    (±)-1-methyl-4-(1-methylvinyl)cyclohexene
    CAS Number:
    7705-14-8
    Molecular formula:
    C10H16
    IUPAC Name:
    1-methyl-4-(methylvinyl)cyclohex-1-ene
    Constituent 14
    Chemical structure
    Reference substance name:
    p-menth-1-en-8-ol
    EC Number:
    202-680-6
    EC Name:
    p-menth-1-en-8-ol
    CAS Number:
    98-55-5
    Molecular formula:
    C10H18O
    IUPAC Name:
    2-(4-methyl-1-cyclohex-3-enyl)propan-2-ol
    Constituent 15
    Chemical structure
    Reference substance name:
    (E)-3,7-dimethylocta-2,6-dienal
    EC Number:
    205-476-5
    EC Name:
    (E)-3,7-dimethylocta-2,6-dienal
    CAS Number:
    141-27-5
    Molecular formula:
    C10H16O
    IUPAC Name:
    3,7-dimethylocta-2,6-dienal
    Constituent 16
    Chemical structure
    Reference substance name:
    Linalool
    EC Number:
    201-134-4
    EC Name:
    Linalool
    CAS Number:
    78-70-6
    Molecular formula:
    C10H18O
    IUPAC Name:
    3,7-Dimethylocta-1,6-dien-3-ol
    Constituent 17
    Chemical structure
    Reference substance name:
    Linalyl acetate
    EC Number:
    204-116-4
    EC Name:
    Linalyl acetate
    CAS Number:
    115-95-7
    Molecular formula:
    C12H20O2
    IUPAC Name:
    3,7-dimethylocta-1,6-dien-3-yl acetate
    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    Linalyl acetate
    EC Number:
    204-116-4
    EC Name:
    Linalyl acetate
    CAS Number:
    115-95-7
    Molecular formula:
    C12H20O2
    IUPAC Name:
    3,7-dimethylocta-1,6-dien-3-yl acetate
    Constituent 2
    Chemical structure
    Reference substance name:
    Linalool
    EC Number:
    201-134-4
    EC Name:
    Linalool
    CAS Number:
    78-70-6
    Molecular formula:
    C10H18O
    IUPAC Name:
    3,7-Dimethylocta-1,6-dien-3-ol
    Constituent 3
    Chemical structure
    Reference substance name:
    p-menth-1-en-8-ol
    EC Number:
    202-680-6
    EC Name:
    p-menth-1-en-8-ol
    CAS Number:
    98-55-5
    Molecular formula:
    C10H18O
    IUPAC Name:
    2-(4-methyl-1-cyclohex-3-enyl)propan-2-ol
    Constituent 4
    Chemical structure
    Reference substance name:
    Geraniol
    EC Number:
    203-377-1
    EC Name:
    Geraniol
    CAS Number:
    106-24-1
    Molecular formula:
    C10H18O
    IUPAC Name:
    (2E)-3,7-dimethylocta-2,6-dien-1-ol
    Constituent 5
    Chemical structure
    Reference substance name:
    Geranyl acetate
    EC Number:
    203-341-5
    EC Name:
    Geranyl acetate
    CAS Number:
    105-87-3
    Molecular formula:
    C12H20O2
    IUPAC Name:
    3,7-dimethylocta-2,6-dien-1-yl acetate
    Constituent 6
    Chemical structure
    Reference substance name:
    (E)-3,7-dimethylocta-1,3,6-triene
    EC Number:
    223-241-5
    EC Name:
    (E)-3,7-dimethylocta-1,3,6-triene
    CAS Number:
    3779-61-1
    Molecular formula:
    C10H16
    IUPAC Name:
    (3E)-3,7-dimethylocta-1,3,6-triene
    Constituent 7
    Chemical structure
    Reference substance name:
    Neryl acetate
    EC Number:
    205-459-2
    EC Name:
    Neryl acetate
    CAS Number:
    141-12-8
    Molecular formula:
    C12H20O2
    IUPAC Name:
    [(2Z)-3,7-dimethylocta-2,6-dienyl] acetate
    Constituent 8
    Chemical structure
    Reference substance name:
    7-methyl-3-methyleneocta-1,6-diene
    EC Number:
    204-622-5
    EC Name:
    7-methyl-3-methyleneocta-1,6-diene
    CAS Number:
    123-35-3
    Molecular formula:
    C10H16
    IUPAC Name:
    7-Methyl-3-methylene-1,6-octadiene
    Constituent 9
    Chemical structure
    Reference substance name:
    Nerol
    EC Number:
    203-378-7
    EC Name:
    Nerol
    CAS Number:
    106-25-2
    Molecular formula:
    C10H18O
    IUPAC Name:
    (2Z)-3,7-dimethylocta-2,6-dien-1-ol
    Constituent 10
    Chemical structure
    Reference substance name:
    (Z)-3,7-dimethylocta-1,3,6,-triene
    EC Number:
    222-081-3
    EC Name:
    (Z)-3,7-dimethylocta-1,3,6,-triene
    CAS Number:
    3338-55-4
    Molecular formula:
    C10H16
    IUPAC Name:
    (Z)-3,7-dimethylocta-1,3,6,-triene
    Constituent 11
    Chemical structure
    Reference substance name:
    Pin-2(10)-ene
    EC Number:
    204-872-5
    EC Name:
    Pin-2(10)-ene
    CAS Number:
    127-91-3
    Molecular formula:
    C10H16
    IUPAC Name:
    6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane
    Constituent 12
    Chemical structure
    Reference substance name:
    (±)-1-methyl-4-(1-methylvinyl)cyclohexene
    EC Number:
    231-732-0
    EC Name:
    (±)-1-methyl-4-(1-methylvinyl)cyclohexene
    CAS Number:
    7705-14-8
    Molecular formula:
    C10H16
    IUPAC Name:
    1-methyl-4-(methylvinyl)cyclohex-1-ene
    Constituent 13
    Chemical structure
    Reference substance name:
    Citral
    EC Number:
    226-394-6
    EC Name:
    Citral
    CAS Number:
    5392-40-5
    Molecular formula:
    C10H16O
    IUPAC Name:
    3,7-dimethylocta-2,6-dienal
    Constituent 14
    Chemical structure
    Reference substance name:
    p-menth-1-en-8-yl acetate
    EC Number:
    201-265-7
    EC Name:
    p-menth-1-en-8-yl acetate
    CAS Number:
    80-26-2
    Molecular formula:
    C12H20O2
    IUPAC Name:
    2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl acetate
    Constituent 15
    Chemical structure
    Reference substance name:
    Caryophyllene
    EC Number:
    201-746-1
    EC Name:
    Caryophyllene
    CAS Number:
    87-44-5
    Molecular formula:
    C15H24
    IUPAC Name:
    [1R-(1R*,4E,9S*)]-4,11,11-trimethyl-8-methylene-Bicyclo[7.2.0]undec-4-ene
    Constituent 16
    Chemical structure
    Reference substance name:
    Pin-2(3)-ene
    EC Number:
    201-291-9
    EC Name:
    Pin-2(3)-ene
    CAS Number:
    80-56-8
    Molecular formula:
    C10H16
    IUPAC Name:
    4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
    Constituent 17
    Chemical structure
    Reference substance name:
    Thuj-4(10)-ene
    EC Number:
    222-212-4
    EC Name:
    Thuj-4(10)-ene
    CAS Number:
    3387-41-5
    Molecular formula:
    C10H16
    IUPAC Name:
    Bicyclo(3.1.0)hexane, 4-methylene-1-(1-methylethyl)
    Constituent 18
    Chemical structure
    Reference substance name:
    p-mentha-1,4(8)-diene
    EC Number:
    209-578-0
    EC Name:
    p-mentha-1,4(8)-diene
    CAS Number:
    586-62-9
    Molecular formula:
    C10H16
    IUPAC Name:
    4-isopropylidene-1-methylcyclohexene
    Constituent 19
    Reference substance name:
    Other minor and unknown constituents in Petitgrain Oil
    Molecular formula:
    Not applicable for other minor and unknown constituents in Petitgrain Oil
    IUPAC Name:
    Other minor and unknown constituents in Petitgrain Oil
    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    Linalyl acetate
    EC Number:
    204-116-4
    EC Name:
    Linalyl acetate
    CAS Number:
    115-95-7
    Molecular formula:
    C12H20O2
    IUPAC Name:
    3,7-dimethylocta-1,6-dien-3-yl acetate
    Constituent 2
    Chemical structure
    Reference substance name:
    Linalool
    EC Number:
    201-134-4
    EC Name:
    Linalool
    CAS Number:
    78-70-6
    Molecular formula:
    C10H18O
    IUPAC Name:
    3,7-Dimethylocta-1,6-dien-3-ol
    Constituent 3
    Chemical structure
    Reference substance name:
    p-menth-1-en-8-ol
    EC Number:
    202-680-6
    EC Name:
    p-menth-1-en-8-ol
    CAS Number:
    98-55-5
    Molecular formula:
    C10H18O
    IUPAC Name:
    2-(4-methyl-1-cyclohex-3-enyl)propan-2-ol
    Constituent 4
    Chemical structure
    Reference substance name:
    Geraniol
    EC Number:
    203-377-1
    EC Name:
    Geraniol
    CAS Number:
    106-24-1
    Molecular formula:
    C10H18O
    IUPAC Name:
    (2E)-3,7-dimethylocta-2,6-dien-1-ol
    Constituent 5
    Chemical structure
    Reference substance name:
    Geranyl acetate
    EC Number:
    203-341-5
    EC Name:
    Geranyl acetate
    CAS Number:
    105-87-3
    Molecular formula:
    C12H20O2
    IUPAC Name:
    3,7-dimethylocta-2,6-dien-1-yl acetate
    Constituent 6
    Chemical structure
    Reference substance name:
    7-methyl-3-methyleneocta-1,6-diene
    EC Number:
    204-622-5
    EC Name:
    7-methyl-3-methyleneocta-1,6-diene
    CAS Number:
    123-35-3
    Molecular formula:
    C10H16
    IUPAC Name:
    7-Methyl-3-methylene-1,6-octadiene
    Constituent 7
    Chemical structure
    Reference substance name:
    (E)-3,7-dimethylocta-1,3,6-triene
    EC Number:
    223-241-5
    EC Name:
    (E)-3,7-dimethylocta-1,3,6-triene
    CAS Number:
    3779-61-1
    Molecular formula:
    C10H16
    IUPAC Name:
    (3E)-3,7-dimethylocta-1,3,6-triene
    Constituent 8
    Chemical structure
    Reference substance name:
    Nerol
    EC Number:
    203-378-7
    EC Name:
    Nerol
    CAS Number:
    106-25-2
    Molecular formula:
    C10H18O
    IUPAC Name:
    (2Z)-3,7-dimethylocta-2,6-dien-1-ol
    Constituent 9
    Chemical structure
    Reference substance name:
    Neryl acetate
    EC Number:
    205-459-2
    EC Name:
    Neryl acetate
    CAS Number:
    141-12-8
    Molecular formula:
    C12H20O2
    IUPAC Name:
    [(2Z)-3,7-dimethylocta-2,6-dienyl] acetate
    Constituent 10
    Chemical structure
    Reference substance name:
    (Z)-3,7-dimethylocta-1,3,6,-triene
    EC Number:
    222-081-3
    EC Name:
    (Z)-3,7-dimethylocta-1,3,6,-triene
    CAS Number:
    3338-55-4
    Molecular formula:
    C10H16
    IUPAC Name:
    (Z)-3,7-dimethylocta-1,3,6,-triene
    Constituent 11
    Chemical structure
    Reference substance name:
    Pin-2(10)-ene
    EC Number:
    204-872-5
    EC Name:
    Pin-2(10)-ene
    CAS Number:
    127-91-3
    Molecular formula:
    C10H16
    IUPAC Name:
    6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane
    Constituent 12
    Chemical structure
    Reference substance name:
    (±)-1-methyl-4-(1-methylvinyl)cyclohexene
    EC Number:
    231-732-0
    EC Name:
    (±)-1-methyl-4-(1-methylvinyl)cyclohexene
    CAS Number:
    7705-14-8
    Molecular formula:
    C10H16
    IUPAC Name:
    1-methyl-4-(methylvinyl)cyclohex-1-ene
    Constituent 13
    Chemical structure
    Reference substance name:
    Citral
    EC Number:
    226-394-6
    EC Name:
    Citral
    CAS Number:
    5392-40-5
    Molecular formula:
    C10H16O
    IUPAC Name:
    3,7-dimethylocta-2,6-dienal
    Constituent 14
    Chemical structure
    Reference substance name:
    p-menth-1-en-8-yl acetate
    EC Number:
    201-265-7
    EC Name:
    p-menth-1-en-8-yl acetate
    CAS Number:
    80-26-2
    Molecular formula:
    C12H20O2
    IUPAC Name:
    2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl acetate
    Constituent 15
    Chemical structure
    Reference substance name:
    Caryophyllene
    EC Number:
    201-746-1
    EC Name:
    Caryophyllene
    CAS Number:
    87-44-5
    Molecular formula:
    C15H24
    IUPAC Name:
    [1R-(1R*,4E,9S*)]-4,11,11-trimethyl-8-methylene-Bicyclo[7.2.0]undec-4-ene
    Constituent 16
    Chemical structure
    Reference substance name:
    Pin-2(3)-ene
    EC Number:
    201-291-9
    EC Name:
    Pin-2(3)-ene
    CAS Number:
    80-56-8
    Molecular formula:
    C10H16
    IUPAC Name:
    4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
    Constituent 17
    Chemical structure
    Reference substance name:
    Thuj-4(10)-ene
    EC Number:
    222-212-4
    EC Name:
    Thuj-4(10)-ene
    CAS Number:
    3387-41-5
    Molecular formula:
    C10H16
    IUPAC Name:
    Bicyclo(3.1.0)hexane, 4-methylene-1-(1-methylethyl)
    Constituent 18
    Chemical structure
    Reference substance name:
    p-mentha-1,4(8)-diene
    EC Number:
    209-578-0
    EC Name:
    p-mentha-1,4(8)-diene
    CAS Number:
    586-62-9
    Molecular formula:
    C10H16
    IUPAC Name:
    4-isopropylidene-1-methylcyclohexene
    Constituent 19
    Reference substance name:
    Other minor and unknown constituents in Petitgrain Oil
    Molecular formula:
    Not applicable for other minor and unknown constituents in Petitgrain Oil
    IUPAC Name:
    Other minor and unknown constituents in Petitgrain Oil
    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    Linalyl acetate
    EC Number:
    204-116-4
    EC Name:
    Linalyl acetate
    CAS Number:
    115-95-7
    Molecular formula:
    C12H20O2
    IUPAC Name:
    3,7-dimethylocta-1,6-dien-3-yl acetate
    Constituent 2
    Chemical structure
    Reference substance name:
    Linalool
    EC Number:
    201-134-4
    EC Name:
    Linalool
    CAS Number:
    78-70-6
    Molecular formula:
    C10H18O
    IUPAC Name:
    3,7-Dimethylocta-1,6-dien-3-ol
    Constituent 3
    Chemical structure
    Reference substance name:
    p-menth-1-en-8-ol
    EC Number:
    202-680-6
    EC Name:
    p-menth-1-en-8-ol
    CAS Number:
    98-55-5
    Molecular formula:
    C10H18O
    IUPAC Name:
    2-(4-methyl-1-cyclohex-3-enyl)propan-2-ol
    Constituent 4
    Chemical structure
    Reference substance name:
    Geranyl acetate
    EC Number:
    203-341-5
    EC Name:
    Geranyl acetate
    CAS Number:
    105-87-3
    Molecular formula:
    C12H20O2
    IUPAC Name:
    3,7-dimethylocta-2,6-dien-1-yl acetate
    Constituent 5
    Chemical structure
    Reference substance name:
    Geraniol
    EC Number:
    203-377-1
    EC Name:
    Geraniol
    CAS Number:
    106-24-1
    Molecular formula:
    C10H18O
    IUPAC Name:
    (2E)-3,7-dimethylocta-2,6-dien-1-ol
    Constituent 6
    Chemical structure
    Reference substance name:
    Neryl acetate
    EC Number:
    205-459-2
    EC Name:
    Neryl acetate
    CAS Number:
    141-12-8
    Molecular formula:
    C12H20O2
    IUPAC Name:
    [(2Z)-3,7-dimethylocta-2,6-dienyl] acetate
    Constituent 7
    Chemical structure
    Reference substance name:
    (E)-3,7-dimethylocta-1,3,6-triene
    EC Number:
    223-241-5
    EC Name:
    (E)-3,7-dimethylocta-1,3,6-triene
    CAS Number:
    3779-61-1
    Molecular formula:
    C10H16
    IUPAC Name:
    (3E)-3,7-dimethylocta-1,3,6-triene
    Constituent 8
    Chemical structure
    Reference substance name:
    7-methyl-3-methyleneocta-1,6-diene
    EC Number:
    204-622-5
    EC Name:
    7-methyl-3-methyleneocta-1,6-diene
    CAS Number:
    123-35-3
    Molecular formula:
    C10H16
    IUPAC Name:
    7-Methyl-3-methylene-1,6-octadiene
    Constituent 9
    Chemical structure
    Reference substance name:
    Nerol
    EC Number:
    203-378-7
    EC Name:
    Nerol
    CAS Number:
    106-25-2
    Molecular formula:
    C10H18O
    IUPAC Name:
    (2Z)-3,7-dimethylocta-2,6-dien-1-ol
    Constituent 10
    Chemical structure
    Reference substance name:
    (Z)-3,7-dimethylocta-1,3,6,-triene
    EC Number:
    222-081-3
    EC Name:
    (Z)-3,7-dimethylocta-1,3,6,-triene
    CAS Number:
    3338-55-4
    Molecular formula:
    C10H16
    IUPAC Name:
    (Z)-3,7-dimethylocta-1,3,6,-triene
    Constituent 11
    Chemical structure
    Reference substance name:
    Pin-2(10)-ene
    EC Number:
    204-872-5
    EC Name:
    Pin-2(10)-ene
    CAS Number:
    127-91-3
    Molecular formula:
    C10H16
    IUPAC Name:
    6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane
    Constituent 12
    Chemical structure
    Reference substance name:
    (±)-1-methyl-4-(1-methylvinyl)cyclohexene
    EC Number:
    231-732-0
    EC Name:
    (±)-1-methyl-4-(1-methylvinyl)cyclohexene
    CAS Number:
    7705-14-8
    Molecular formula:
    C10H16
    IUPAC Name:
    1-methyl-4-(methylvinyl)cyclohex-1-ene
    Constituent 13
    Chemical structure
    Reference substance name:
    Citral
    EC Number:
    226-394-6
    EC Name:
    Citral
    CAS Number:
    5392-40-5
    Molecular formula:
    C10H16O
    IUPAC Name:
    3,7-dimethylocta-2,6-dienal
    Constituent 14
    Chemical structure
    Reference substance name:
    p-menth-1-en-8-yl acetate
    EC Number:
    201-265-7
    EC Name:
    p-menth-1-en-8-yl acetate
    CAS Number:
    80-26-2
    Molecular formula:
    C12H20O2
    IUPAC Name:
    2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl acetate
    Constituent 15
    Chemical structure
    Reference substance name:
    Caryophyllene
    EC Number:
    201-746-1
    EC Name:
    Caryophyllene
    CAS Number:
    87-44-5
    Molecular formula:
    C15H24
    IUPAC Name:
    [1R-(1R*,4E,9S*)]-4,11,11-trimethyl-8-methylene-Bicyclo[7.2.0]undec-4-ene
    Constituent 16
    Chemical structure
    Reference substance name:
    Pin-2(3)-ene
    EC Number:
    201-291-9
    EC Name:
    Pin-2(3)-ene
    CAS Number:
    80-56-8
    Molecular formula:
    C10H16
    IUPAC Name:
    4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
    Constituent 17
    Chemical structure
    Reference substance name:
    Thuj-4(10)-ene
    EC Number:
    222-212-4
    EC Name:
    Thuj-4(10)-ene
    CAS Number:
    3387-41-5
    Molecular formula:
    C10H16
    IUPAC Name:
    Bicyclo(3.1.0)hexane, 4-methylene-1-(1-methylethyl)
    Constituent 18
    Chemical structure
    Reference substance name:
    p-mentha-1,4(8)-diene
    EC Number:
    209-578-0
    EC Name:
    p-mentha-1,4(8)-diene
    CAS Number:
    586-62-9
    Molecular formula:
    C10H16
    IUPAC Name:
    4-isopropylidene-1-methylcyclohexene
    Constituent 19
    Reference substance name:
    Other minor and unknown constituents in Petitgrain Oil
    Molecular formula:
    Not applicable for other minor and unknown constituents in Petitgrain Oil
    IUPAC Name:
    Other minor and unknown constituents in Petitgrain Oil
    State Form:
    liquid


    Constituent 1
    Reference substance name:
    Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation
    EC Number:
    946-433-7
    CAS Number:
    Not available
    Molecular formula:
    Not applicable for a natural complex substance (UVCB)
    IUPAC Name:
    Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation
    Constituent 2
    Chemical structure
    Reference substance name:
    Linalool
    EC Number:
    201-134-4
    EC Name:
    Linalool
    CAS Number:
    78-70-6
    Molecular formula:
    C10H18O
    IUPAC Name:
    3,7-Dimethylocta-1,6-dien-3-ol
    Constituent 3
    Chemical structure
    Reference substance name:
    Geranyl acetate
    EC Number:
    203-341-5
    EC Name:
    Geranyl acetate
    CAS Number:
    105-87-3
    Molecular formula:
    C12H20O2
    IUPAC Name:
    3,7-dimethylocta-2,6-dien-1-yl acetate
    Constituent 4
    Chemical structure
    Reference substance name:
    Geraniol
    EC Number:
    203-377-1
    EC Name:
    Geraniol
    CAS Number:
    106-24-1
    Molecular formula:
    C10H18O
    IUPAC Name:
    (2E)-3,7-dimethylocta-2,6-dien-1-ol
    Constituent 5
    Chemical structure
    Reference substance name:
    7-methyl-3-methyleneocta-1,6-diene
    EC Number:
    204-622-5
    EC Name:
    7-methyl-3-methyleneocta-1,6-diene
    CAS Number:
    123-35-3
    Molecular formula:
    C10H16
    IUPAC Name:
    7-Methyl-3-methylene-1,6-octadiene
    Constituent 6
    Chemical structure
    Reference substance name:
    (Z)-3,7-dimethylocta-1,3,6,-triene
    EC Number:
    222-081-3
    EC Name:
    (Z)-3,7-dimethylocta-1,3,6,-triene
    CAS Number:
    3338-55-4
    Molecular formula:
    C10H16
    IUPAC Name:
    (Z)-3,7-dimethylocta-1,3,6,-triene
    Constituent 7
    Chemical structure
    Reference substance name:
    Pin-2(10)-ene
    EC Number:
    204-872-5
    EC Name:
    Pin-2(10)-ene
    CAS Number:
    127-91-3
    Molecular formula:
    C10H16
    IUPAC Name:
    6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane
    Constituent 8
    Chemical structure
    Reference substance name:
    (±)-1-methyl-4-(1-methylvinyl)cyclohexene
    EC Number:
    231-732-0
    EC Name:
    (±)-1-methyl-4-(1-methylvinyl)cyclohexene
    CAS Number:
    7705-14-8
    Molecular formula:
    C10H16
    IUPAC Name:
    1-methyl-4-(methylvinyl)cyclohex-1-ene
    Constituent 9
    Chemical structure
    Reference substance name:
    Caryophyllene
    EC Number:
    201-746-1
    EC Name:
    Caryophyllene
    CAS Number:
    87-44-5
    Molecular formula:
    C15H24
    IUPAC Name:
    [1R-(1R*,4E,9S*)]-4,11,11-trimethyl-8-methylene-Bicyclo[7.2.0]undec-4-ene
    Constituent 10
    Chemical structure
    Reference substance name:
    p-mentha-1,4(8)-diene
    EC Number:
    209-578-0
    EC Name:
    p-mentha-1,4(8)-diene
    CAS Number:
    586-62-9
    Molecular formula:
    C10H16
    IUPAC Name:
    4-isopropylidene-1-methylcyclohexene
    Constituent 11
    Chemical structure
    Reference substance name:
    Pin-2(3)-ene
    EC Number:
    201-291-9
    EC Name:
    Pin-2(3)-ene
    CAS Number:
    80-56-8
    Molecular formula:
    C10H16
    IUPAC Name:
    4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
    Constituent 12
    Chemical structure
    Reference substance name:
    p-menth-1-en-8-ol
    EC Number:
    202-680-6
    EC Name:
    p-menth-1-en-8-ol
    CAS Number:
    98-55-5
    Molecular formula:
    C10H18O
    IUPAC Name:
    2-(4-methyl-1-cyclohex-3-enyl)propan-2-ol
    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    Linalyl acetate
    EC Number:
    204-116-4
    EC Name:
    Linalyl acetate
    CAS Number:
    115-95-7
    Molecular formula:
    C12H20O2
    IUPAC Name:
    3,7-dimethylocta-1,6-dien-3-yl acetate
    Constituent 2
    Chemical structure
    Reference substance name:
    Linalool
    EC Number:
    201-134-4
    EC Name:
    Linalool
    CAS Number:
    78-70-6
    Molecular formula:
    C10H18O
    IUPAC Name:
    3,7-Dimethylocta-1,6-dien-3-ol
    Constituent 3
    Chemical structure
    Reference substance name:
    Geraniol
    EC Number:
    203-377-1
    EC Name:
    Geraniol
    CAS Number:
    106-24-1
    Molecular formula:
    C10H18O
    IUPAC Name:
    (2E)-3,7-dimethylocta-2,6-dien-1-ol
    Constituent 4
    Chemical structure
    Reference substance name:
    p-menth-1-en-8-ol
    EC Number:
    202-680-6
    EC Name:
    p-menth-1-en-8-ol
    CAS Number:
    98-55-5
    Molecular formula:
    C10H18O
    IUPAC Name:
    2-(4-methyl-1-cyclohex-3-enyl)propan-2-ol
    Constituent 5
    Chemical structure
    Reference substance name:
    Geranyl acetate
    EC Number:
    203-341-5
    EC Name:
    Geranyl acetate
    CAS Number:
    105-87-3
    Molecular formula:
    C12H20O2
    IUPAC Name:
    3,7-dimethylocta-2,6-dien-1-yl acetate
    Constituent 6
    Chemical structure
    Reference substance name:
    (±)-1-methyl-4-(1-methylvinyl)cyclohexene
    EC Number:
    231-732-0
    EC Name:
    (±)-1-methyl-4-(1-methylvinyl)cyclohexene
    CAS Number:
    7705-14-8
    Molecular formula:
    C10H16
    IUPAC Name:
    1-methyl-4-(methylvinyl)cyclohex-1-ene
    Constituent 7
    Chemical structure
    Reference substance name:
    7-methyl-3-methyleneocta-1,6-diene
    EC Number:
    204-622-5
    EC Name:
    7-methyl-3-methyleneocta-1,6-diene
    CAS Number:
    123-35-3
    Molecular formula:
    C10H16
    IUPAC Name:
    7-Methyl-3-methylene-1,6-octadiene
    Constituent 8
    Chemical structure
    Reference substance name:
    (Z)-3,7-dimethylocta-1,3,6,-triene
    EC Number:
    222-081-3
    EC Name:
    (Z)-3,7-dimethylocta-1,3,6,-triene
    CAS Number:
    3338-55-4
    Molecular formula:
    C10H16
    IUPAC Name:
    (Z)-3,7-dimethylocta-1,3,6,-triene
    Constituent 9
    Chemical structure
    Reference substance name:
    Nerol
    EC Number:
    203-378-7
    EC Name:
    Nerol
    CAS Number:
    106-25-2
    Molecular formula:
    C10H18O
    IUPAC Name:
    (2Z)-3,7-dimethylocta-2,6-dien-1-ol
    Constituent 10
    Chemical structure
    Reference substance name:
    Neryl acetate
    EC Number:
    205-459-2
    EC Name:
    Neryl acetate
    CAS Number:
    141-12-8
    Molecular formula:
    C12H20O2
    IUPAC Name:
    [(2Z)-3,7-dimethylocta-2,6-dienyl] acetate
    Constituent 11
    Chemical structure
    Reference substance name:
    Pin-2(10)-ene
    EC Number:
    204-872-5
    EC Name:
    Pin-2(10)-ene
    CAS Number:
    127-91-3
    Molecular formula:
    C10H16
    IUPAC Name:
    6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane
    Constituent 12
    Chemical structure
    Reference substance name:
    p-menth-1-en-8-yl acetate
    EC Number:
    201-265-7
    EC Name:
    p-menth-1-en-8-yl acetate
    CAS Number:
    80-26-2
    Molecular formula:
    C12H20O2
    IUPAC Name:
    2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl acetate
    Constituent 13
    Chemical structure
    Reference substance name:
    Caryophyllene
    EC Number:
    201-746-1
    EC Name:
    Caryophyllene
    CAS Number:
    87-44-5
    Molecular formula:
    C15H24
    IUPAC Name:
    [1R-(1R*,4E,9S*)]-4,11,11-trimethyl-8-methylene-Bicyclo[7.2.0]undec-4-ene
    Constituent 14
    Chemical structure
    Reference substance name:
    Thuj-4(10)-ene
    EC Number:
    222-212-4
    EC Name:
    Thuj-4(10)-ene
    CAS Number:
    3387-41-5
    Molecular formula:
    C10H16
    IUPAC Name:
    Bicyclo(3.1.0)hexane, 4-methylene-1-(1-methylethyl)
    Constituent 15
    Chemical structure
    Reference substance name:
    Citral
    EC Number:
    226-394-6
    EC Name:
    Citral
    CAS Number:
    5392-40-5
    Molecular formula:
    C10H16O
    IUPAC Name:
    3,7-dimethylocta-2,6-dienal
    Constituent 16
    Chemical structure
    Reference substance name:
    Pin-2(3)-ene
    EC Number:
    201-291-9
    EC Name:
    Pin-2(3)-ene
    CAS Number:
    80-56-8
    Molecular formula:
    C10H16
    IUPAC Name:
    4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
    Constituent 17
    Chemical structure
    Reference substance name:
    p-mentha-1,4(8)-diene
    EC Number:
    209-578-0
    EC Name:
    p-mentha-1,4(8)-diene
    CAS Number:
    586-62-9
    Molecular formula:
    C10H16
    IUPAC Name:
    4-isopropylidene-1-methylcyclohexene
    Constituent 18
    Reference substance name:
    Unknown and other minor constituents of Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation
    IUPAC Name:
    Unknown and other minor constituents of Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation
    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    Pin-2(10)-ene
    EC Number:
    204-872-5
    EC Name:
    Pin-2(10)-ene
    CAS Number:
    127-91-3
    Molecular formula:
    C10H16
    IUPAC Name:
    6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane
    Constituent 2
    Chemical structure
    Reference substance name:
    Dipentene
    EC Number:
    205-341-0
    EC Name:
    Dipentene
    CAS Number:
    138-86-3
    Molecular formula:
    C10H16
    IUPAC Name:
    1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene
    Constituent 3
    Chemical structure
    Reference substance name:
    7-methyl-3-methyleneocta-1,6-diene
    EC Number:
    204-622-5
    EC Name:
    7-methyl-3-methyleneocta-1,6-diene
    CAS Number:
    123-35-3
    Molecular formula:
    C10H16
    IUPAC Name:
    7-Methyl-3-methylene-1,6-octadiene
    Constituent 4
    Chemical structure
    Reference substance name:
    (E)-3,7-dimethylocta-1,3,6-triene
    EC Number:
    223-241-5
    EC Name:
    (E)-3,7-dimethylocta-1,3,6-triene
    CAS Number:
    3779-61-1
    Molecular formula:
    C10H16
    IUPAC Name:
    (3E)-3,7-dimethylocta-1,3,6-triene
    Constituent 5
    Chemical structure
    Reference substance name:
    Neryl acetate
    EC Number:
    205-459-2
    EC Name:
    Neryl acetate
    CAS Number:
    141-12-8
    Molecular formula:
    C12H20O2
    IUPAC Name:
    [(2Z)-3,7-dimethylocta-2,6-dienyl] acetate
    Constituent 6
    Chemical structure
    Reference substance name:
    Geraniol
    EC Number:
    203-377-1
    EC Name:
    Geraniol
    CAS Number:
    106-24-1
    Molecular formula:
    C10H18O
    IUPAC Name:
    (2E)-3,7-dimethylocta-2,6-dien-1-ol
    Constituent 7
    Chemical structure
    Reference substance name:
    Geranyl acetate
    EC Number:
    203-341-5
    EC Name:
    Geranyl acetate
    CAS Number:
    105-87-3
    Molecular formula:
    C12H20O2
    IUPAC Name:
    3,7-dimethylocta-2,6-dien-1-yl acetate
    Constituent 8
    Chemical structure
    Reference substance name:
    p-menth-1-en-8-ol
    EC Number:
    202-680-6
    EC Name:
    p-menth-1-en-8-ol
    CAS Number:
    98-55-5
    Molecular formula:
    C10H18O
    IUPAC Name:
    2-(4-methyl-1-cyclohex-3-enyl)propan-2-ol
    Constituent 9
    Chemical structure
    Reference substance name:
    Linalool
    EC Number:
    201-134-4
    EC Name:
    Linalool
    CAS Number:
    78-70-6
    Molecular formula:
    C10H18O
    IUPAC Name:
    3,7-Dimethylocta-1,6-dien-3-ol
    Constituent 10
    Chemical structure
    Reference substance name:
    Linalyl acetate
    EC Number:
    204-116-4
    EC Name:
    Linalyl acetate
    CAS Number:
    115-95-7
    Molecular formula:
    C12H20O2
    IUPAC Name:
    3,7-dimethylocta-1,6-dien-3-yl acetate
    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    Linalyl acetate
    EC Number:
    204-116-4
    EC Name:
    Linalyl acetate
    CAS Number:
    115-95-7
    Molecular formula:
    C12H20O2
    IUPAC Name:
    3,7-dimethylocta-1,6-dien-3-yl acetate
    Constituent 2
    Chemical structure
    Reference substance name:
    Linalool
    EC Number:
    201-134-4
    EC Name:
    Linalool
    CAS Number:
    78-70-6
    Molecular formula:
    C10H18O
    IUPAC Name:
    3,7-Dimethylocta-1,6-dien-3-ol
    Constituent 3
    Chemical structure
    Reference substance name:
    Geraniol
    EC Number:
    203-377-1
    EC Name:
    Geraniol
    CAS Number:
    106-24-1
    Molecular formula:
    C10H18O
    IUPAC Name:
    (2E)-3,7-dimethylocta-2,6-dien-1-ol
    Constituent 4
    Chemical structure
    Reference substance name:
    p-menth-1-en-8-ol
    EC Number:
    202-680-6
    EC Name:
    p-menth-1-en-8-ol
    CAS Number:
    98-55-5
    Molecular formula:
    C10H18O
    IUPAC Name:
    2-(4-methyl-1-cyclohex-3-enyl)propan-2-ol
    Constituent 5
    Chemical structure
    Reference substance name:
    Geranyl acetate
    EC Number:
    203-341-5
    EC Name:
    Geranyl acetate
    CAS Number:
    105-87-3
    Molecular formula:
    C12H20O2
    IUPAC Name:
    3,7-dimethylocta-2,6-dien-1-yl acetate
    Constituent 6
    Chemical structure
    Reference substance name:
    (±)-1-methyl-4-(1-methylvinyl)cyclohexene
    EC Number:
    231-732-0
    EC Name:
    (±)-1-methyl-4-(1-methylvinyl)cyclohexene
    CAS Number:
    7705-14-8
    Molecular formula:
    C10H16
    IUPAC Name:
    1-methyl-4-(methylvinyl)cyclohex-1-ene
    Constituent 7
    Chemical structure
    Reference substance name:
    7-methyl-3-methyleneocta-1,6-diene
    EC Number:
    204-622-5
    EC Name:
    7-methyl-3-methyleneocta-1,6-diene
    CAS Number:
    123-35-3
    Molecular formula:
    C10H16
    IUPAC Name:
    7-Methyl-3-methylene-1,6-octadiene
    Constituent 8
    Chemical structure
    Reference substance name:
    (Z)-3,7-dimethylocta-1,3,6,-triene
    EC Number:
    222-081-3
    EC Name:
    (Z)-3,7-dimethylocta-1,3,6,-triene
    CAS Number:
    3338-55-4
    Molecular formula:
    C10H16
    IUPAC Name:
    (Z)-3,7-dimethylocta-1,3,6,-triene
    Constituent 9
    Chemical structure
    Reference substance name:
    Nerol
    EC Number:
    203-378-7
    EC Name:
    Nerol
    CAS Number:
    106-25-2
    Molecular formula:
    C10H18O
    IUPAC Name:
    (2Z)-3,7-dimethylocta-2,6-dien-1-ol
    Constituent 10
    Chemical structure
    Reference substance name:
    Neryl acetate
    EC Number:
    205-459-2
    EC Name:
    Neryl acetate
    CAS Number:
    141-12-8
    Molecular formula:
    C12H20O2
    IUPAC Name:
    [(2Z)-3,7-dimethylocta-2,6-dienyl] acetate
    Constituent 11
    Chemical structure
    Reference substance name:
    Pin-2(10)-ene
    EC Number:
    204-872-5
    EC Name:
    Pin-2(10)-ene
    CAS Number:
    127-91-3
    Molecular formula:
    C10H16
    IUPAC Name:
    6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane
    Constituent 12
    Chemical structure
    Reference substance name:
    p-menth-1-en-8-yl acetate
    EC Number:
    201-265-7
    EC Name:
    p-menth-1-en-8-yl acetate
    CAS Number:
    80-26-2
    Molecular formula:
    C12H20O2
    IUPAC Name:
    2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl acetate
    Constituent 13
    Chemical structure
    Reference substance name:
    Caryophyllene
    EC Number:
    201-746-1
    EC Name:
    Caryophyllene
    CAS Number:
    87-44-5
    Molecular formula:
    C15H24
    IUPAC Name:
    [1R-(1R*,4E,9S*)]-4,11,11-trimethyl-8-methylene-Bicyclo[7.2.0]undec-4-ene
    Constituent 14
    Chemical structure
    Reference substance name:
    Pin-2(3)-ene
    EC Number:
    201-291-9
    EC Name:
    Pin-2(3)-ene
    CAS Number:
    80-56-8
    Molecular formula:
    C10H16
    IUPAC Name:
    4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
    Constituent 15
    Chemical structure
    Reference substance name:
    Thuj-4(10)-ene
    EC Number:
    222-212-4
    EC Name:
    Thuj-4(10)-ene
    CAS Number:
    3387-41-5
    Molecular formula:
    C10H16
    IUPAC Name:
    Bicyclo(3.1.0)hexane, 4-methylene-1-(1-methylethyl)
    Constituent 16
    Chemical structure
    Reference substance name:
    p-mentha-1,4(8)-diene
    EC Number:
    209-578-0
    EC Name:
    p-mentha-1,4(8)-diene
    CAS Number:
    586-62-9
    Molecular formula:
    C10H16
    IUPAC Name:
    4-isopropylidene-1-methylcyclohexene
    Constituent 17
    Reference substance name:
    Unknown and other minor constituents of Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation
    IUPAC Name:
    Unknown and other minor constituents of Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation
    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    Linalyl acetate
    EC Number:
    204-116-4
    EC Name:
    Linalyl acetate
    CAS Number:
    115-95-7
    Molecular formula:
    C12H20O2
    IUPAC Name:
    3,7-dimethylocta-1,6-dien-3-yl acetate
    Constituent 2
    Chemical structure
    Reference substance name:
    Linalool
    EC Number:
    201-134-4
    EC Name:
    Linalool
    CAS Number:
    78-70-6
    Molecular formula:
    C10H18O
    IUPAC Name:
    3,7-Dimethylocta-1,6-dien-3-ol
    Constituent 3
    Chemical structure
    Reference substance name:
    Geraniol
    EC Number:
    203-377-1
    EC Name:
    Geraniol
    CAS Number:
    106-24-1
    Molecular formula:
    C10H18O
    IUPAC Name:
    (2E)-3,7-dimethylocta-2,6-dien-1-ol
    Constituent 4
    Chemical structure
    Reference substance name:
    p-menth-1-en-8-ol
    EC Number:
    202-680-6
    EC Name:
    p-menth-1-en-8-ol
    CAS Number:
    98-55-5
    Molecular formula:
    C10H18O
    IUPAC Name:
    2-(4-methyl-1-cyclohex-3-enyl)propan-2-ol
    Constituent 5
    Chemical structure
    Reference substance name:
    Geranyl acetate
    EC Number:
    203-341-5
    EC Name:
    Geranyl acetate
    CAS Number:
    105-87-3
    Molecular formula:
    C12H20O2
    IUPAC Name:
    3,7-dimethylocta-2,6-dien-1-yl acetate
    Constituent 6
    Chemical structure
    Reference substance name:
    (±)-1-methyl-4-(1-methylvinyl)cyclohexene
    EC Number:
    231-732-0
    EC Name:
    (±)-1-methyl-4-(1-methylvinyl)cyclohexene
    CAS Number:
    7705-14-8
    Molecular formula:
    C10H16
    IUPAC Name:
    1-methyl-4-(methylvinyl)cyclohex-1-ene
    Constituent 7
    Chemical structure
    Reference substance name:
    7-methyl-3-methyleneocta-1,6-diene
    EC Number:
    204-622-5
    EC Name:
    7-methyl-3-methyleneocta-1,6-diene
    CAS Number:
    123-35-3
    Molecular formula:
    C10H16
    IUPAC Name:
    7-Methyl-3-methylene-1,6-octadiene
    Constituent 8
    Chemical structure
    Reference substance name:
    Citral
    EC Number:
    226-394-6
    EC Name:
    Citral
    CAS Number:
    5392-40-5
    Molecular formula:
    C10H16O
    IUPAC Name:
    3,7-dimethylocta-2,6-dienal
    Constituent 9
    Chemical structure
    Reference substance name:
    (Z)-3,7-dimethylocta-1,3,6,-triene
    EC Number:
    222-081-3
    EC Name:
    (Z)-3,7-dimethylocta-1,3,6,-triene
    CAS Number:
    3338-55-4
    Molecular formula:
    C10H16
    IUPAC Name:
    (Z)-3,7-dimethylocta-1,3,6,-triene
    Constituent 10