Registration Dossier

Identification

Display Name:
Fir, Abies sibirica, ext.
EC Number:
294-351-9
EC Name:
Fir, Abies sibirica, ext.
CAS Number:
91697-89-1
Molecular formula:
not applicable
IUPAC Name:
Essential oil of Abies sibirica Ledeb. (Pinaceae) obtained from needles and branches by distillation.

Type of Substance

Composition:
UVCB
Origin:
organic

Substance Identifiers open all close all

  • 8021-29-2
  • Fir needle oil
  • Compositions

    Boundary Composition(s) open all close all

    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    Dipentene
    EC Number:
    205-341-0
    EC Name:
    Dipentene
    CAS Number:
    138-86-3
    Molecular formula:
    C10H16
    IUPAC Name:
    4-isopropenyl-1-methylcyclohexene
    Constituent 2
    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:
    2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
    Constituent 3
    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 4
    Chemical structure
    Reference substance name:
    3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
    EC Number:
    236-719-3
    EC Name:
    3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
    CAS Number:
    13466-78-9
    Molecular formula:
    C10H16
    IUPAC Name:
    3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
    Constituent 5
    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 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-methyleneocta-1,6-diene
    Constituent 7
    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:
    1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl acetate
    Constituent 8
    Chemical structure
    Reference substance name:
    Camphene
    EC Number:
    201-234-8
    EC Name:
    Camphene
    CAS Number:
    79-92-5
    Molecular formula:
    C10H16
    IUPAC Name:
    2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane
    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,4E,9S)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
    Constituent 10
    Chemical structure
    Reference substance name:
    L-born-2-yl acetate
    EC Number:
    227-101-4
    EC Name:
    L-born-2-yl acetate
    CAS Number:
    5655-61-8
    Molecular formula:
    C12H20O2
    IUPAC Name:
    1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate
    Constituent 11
    Chemical structure
    Reference substance name:
    2,3-dimethylbicyclo[2.2.1]hept-2-ene
    CAS Number:
    529-16-8
    Molecular formula:
    C9 H14
    IUPAC Name:
    2,3-dimethylbicyclo[2.2.1]hept-2-ene
    Constituent 12
    Chemical structure
    Reference substance name:
    1,7,7-trimethyltricyclo[2.2.1.02,6]heptane
    EC Number:
    208-083-7
    EC Name:
    1,7,7-trimethyltricyclo[2.2.1.02,6]heptane
    CAS Number:
    508-32-7
    Molecular formula:
    C10H16
    IUPAC Name:
    1,7,7-trimethyltricyclo[2.2.1.0~2,6~]heptane
    Constituent 13
    Chemical structure
    Reference substance name:
    p-mentha-1(7),2-diene
    EC Number:
    209-081-9
    EC Name:
    p-mentha-1(7),2-diene
    CAS Number:
    555-10-2
    Molecular formula:
    C10H16
    IUPAC Name:
    3-methylidene-6-propan-2-ylcyclohexene
    Constituent 14
    Chemical structure
    Reference substance name:
    (1S-endo)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
    EC Number:
    207-353-1
    EC Name:
    (1S-endo)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
    CAS Number:
    464-45-9
    Molecular formula:
    C10H18O
    IUPAC Name:
    1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
    Constituent 15
    Reference substance name:
    Unknown constituents
    Molecular formula:
    Not applicable (a generic molecular formula cannot be provided for these unknown constituents)
    IUPAC Name:
    Unknown constituents

    Legal Entity Composition(s) open all close all

    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    Dipentene
    EC Number:
    205-341-0
    EC Name:
    Dipentene
    CAS Number:
    138-86-3
    Molecular formula:
    C10H16
    IUPAC Name:
    4-isopropenyl-1-methylcyclohexene
    Constituent 2
    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:
    2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
    Constituent 3
    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 4
    Chemical structure
    Reference substance name:
    3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
    EC Number:
    236-719-3
    EC Name:
    3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
    CAS Number:
    13466-78-9
    Molecular formula:
    C10H16
    IUPAC Name:
    3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
    Constituent 5
    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 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-methyleneocta-1,6-diene
    Constituent 7
    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:
    1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl acetate
    Constituent 8
    Chemical structure
    Reference substance name:
    Camphene
    EC Number:
    201-234-8
    EC Name:
    Camphene
    CAS Number:
    79-92-5
    Molecular formula:
    C10H16
    IUPAC Name:
    2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane
    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,4E,9S)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
    Constituent 10
    Chemical structure
    Reference substance name:
    L-born-2-yl acetate
    EC Number:
    227-101-4
    EC Name:
    L-born-2-yl acetate
    CAS Number:
    5655-61-8
    Molecular formula:
    C12H20O2
    IUPAC Name:
    1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate
    Constituent 11
    Chemical structure
    Reference substance name:
    2,3-dimethylbicyclo[2.2.1]hept-2-ene
    CAS Number:
    529-16-8
    Molecular formula:
    C9 H14
    IUPAC Name:
    2,3-dimethylbicyclo[2.2.1]hept-2-ene
    Constituent 12
    Chemical structure
    Reference substance name:
    1,7,7-trimethyltricyclo[2.2.1.02,6]heptane
    EC Number:
    208-083-7
    EC Name:
    1,7,7-trimethyltricyclo[2.2.1.02,6]heptane
    CAS Number:
    508-32-7
    Molecular formula:
    C10H16
    IUPAC Name:
    1,7,7-trimethyltricyclo[2.2.1.0~2,6~]heptane
    Constituent 13
    Chemical structure
    Reference substance name:
    p-mentha-1(7),2-diene
    EC Number:
    209-081-9
    EC Name:
    p-mentha-1(7),2-diene
    CAS Number:
    555-10-2
    Molecular formula:
    C10H16
    IUPAC Name:
    3-methylidene-6-propan-2-ylcyclohexene
    Constituent 14
    Chemical structure
    Reference substance name:
    (1S-endo)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
    EC Number:
    207-353-1
    EC Name:
    (1S-endo)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
    CAS Number:
    464-45-9
    Molecular formula:
    C10H18O
    IUPAC Name:
    1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
    Constituent 15
    Chemical structure
    Reference substance name:
    Humulene
    EC Number:
    229-816-7
    EC Name:
    Humulene
    CAS Number:
    6753-98-6
    Molecular formula:
    C15H24
    IUPAC Name:
    2,6,6,9-tetramethylcycloundeca-1,4,8-triene
    Constituent 16
    Reference substance name:
    Unknown constituents
    Molecular formula:
    Not applicable (a generic molecular formula cannot be provided for these unknown constituents)
    IUPAC Name:
    Unknown constituents
    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    Humulene
    EC Number:
    229-816-7
    EC Name:
    Humulene
    CAS Number:
    6753-98-6
    Molecular formula:
    C15H24
    IUPAC Name:
    2,6,6,9-tetramethylcycloundeca-1,4,8-triene
    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:
    4-isopropenyl-1-methylcyclohexene
    Constituent 3
    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:
    2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
    Constituent 4
    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 5
    Chemical structure
    Reference substance name:
    (1S)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
    EC Number:
    207-856-6
    EC Name:
    (1S)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
    CAS Number:
    498-15-7
    Molecular formula:
    C10H16
    IUPAC Name:
    (1S)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
    Constituent 6
    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 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-methyleneocta-1,6-diene
    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:
    1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl acetate
    Constituent 9
    Chemical structure
    Reference substance name:
    Camphene
    EC Number:
    201-234-8
    EC Name:
    Camphene
    CAS Number:
    79-92-5
    Molecular formula:
    C10H16
    IUPAC Name:
    2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane
    Constituent 10
    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,4E,9S)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
    Constituent 11
    Chemical structure
    Reference substance name:
    L-born-2-yl acetate
    EC Number:
    227-101-4
    EC Name:
    L-born-2-yl acetate
    CAS Number:
    5655-61-8
    Molecular formula:
    C12H20O2
    IUPAC Name:
    1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate
    Constituent 12
    Chemical structure
    Reference substance name:
    2,3-dimethylbicyclo[2.2.1]hept-2-ene
    CAS Number:
    529-16-8
    Molecular formula:
    C9 H14
    IUPAC Name:
    2,3-dimethylbicyclo[2.2.1]hept-2-ene
    Constituent 13
    Chemical structure
    Reference substance name:
    1,7,7-trimethyltricyclo[2.2.1.02,6]heptane
    EC Number:
    208-083-7
    EC Name:
    1,7,7-trimethyltricyclo[2.2.1.02,6]heptane
    CAS Number:
    508-32-7
    Molecular formula:
    C10H16
    IUPAC Name:
    1,7,7-trimethyltricyclo[2.2.1.0~2,6~]heptane
    Constituent 14
    Chemical structure
    Reference substance name:
    p-mentha-1(7),2-diene
    EC Number:
    209-081-9
    EC Name:
    p-mentha-1(7),2-diene
    CAS Number:
    555-10-2
    Molecular formula:
    C10H16
    IUPAC Name:
    3-methylidene-6-propan-2-ylcyclohexene
    Constituent 15
    Chemical structure
    Reference substance name:
    (1S-endo)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
    EC Number:
    207-353-1
    EC Name:
    (1S-endo)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
    CAS Number:
    464-45-9
    Molecular formula:
    C10H18O
    IUPAC Name:
    1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
    Constituent 16
    Reference substance name:
    Unknown constituents
    Molecular formula:
    Not applicable (a generic molecular formula cannot be provided for these unknown constituents)
    IUPAC Name:
    Unknown constituents
    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    Dipentene
    EC Number:
    205-341-0
    EC Name:
    Dipentene
    CAS Number:
    138-86-3
    Molecular formula:
    C10H16
    IUPAC Name:
    4-isopropenyl-1-methylcyclohexene
    Constituent 2
    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:
    2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
    Constituent 3
    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 4
    Chemical structure
    Reference substance name:
    3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
    EC Number:
    236-719-3
    EC Name:
    3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
    CAS Number:
    13466-78-9
    Molecular formula:
    C10H16
    IUPAC Name:
    3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
    Constituent 5
    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 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-methyleneocta-1,6-diene
    Constituent 7
    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:
    1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl acetate
    Constituent 8
    Chemical structure
    Reference substance name:
    Camphene
    EC Number:
    201-234-8
    EC Name:
    Camphene
    CAS Number:
    79-92-5
    Molecular formula:
    C10H16
    IUPAC Name:
    2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane
    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,4E,9S)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
    Constituent 10
    Chemical structure
    Reference substance name:
    L-born-2-yl acetate
    EC Number:
    227-101-4
    EC Name:
    L-born-2-yl acetate
    CAS Number:
    5655-61-8
    Molecular formula:
    C12H20O2
    IUPAC Name:
    1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate
    Constituent 11
    Chemical structure
    Reference substance name:
    2,3-dimethylbicyclo[2.2.1]hept-2-ene
    CAS Number:
    529-16-8
    Molecular formula:
    C9 H14
    IUPAC Name:
    2,3-dimethylbicyclo[2.2.1]hept-2-ene
    Constituent 12
    Chemical structure
    Reference substance name:
    1,7,7-trimethyltricyclo[2.2.1.02,6]heptane
    EC Number:
    208-083-7
    EC Name:
    1,7,7-trimethyltricyclo[2.2.1.02,6]heptane
    CAS Number:
    508-32-7
    Molecular formula:
    C10H16
    IUPAC Name:
    1,7,7-trimethyltricyclo[2.2.1.0~2,6~]heptane
    Constituent 13
    Chemical structure
    Reference substance name:
    p-mentha-1(7),2-diene
    EC Number:
    209-081-9
    EC Name:
    p-mentha-1(7),2-diene
    CAS Number:
    555-10-2
    Molecular formula:
    C10H16
    IUPAC Name:
    3-methylidene-6-propan-2-ylcyclohexene
    Constituent 14
    Chemical structure
    Reference substance name:
    (1S-endo)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
    EC Number:
    207-353-1
    EC Name:
    (1S-endo)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
    CAS Number:
    464-45-9
    Molecular formula:
    C10H18O
    IUPAC Name:
    1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
    Constituent 15
    Reference substance name:
    Unknown constituents
    Molecular formula:
    Not applicable (a generic molecular formula cannot be provided for these unknown constituents)
    IUPAC Name:
    Unknown constituents
    State Form:
    liquid


    Constituent 1
    Reference substance name:
    Unknown constituents
    Molecular formula:
    Not applicable (a generic molecular formula cannot be provided for these unknown constituents)
    IUPAC Name:
    Unknown constituents
    Constituent 2
    Chemical structure
    Reference substance name:
    (1S-endo)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
    EC Number:
    207-353-1
    EC Name:
    (1S-endo)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
    CAS Number:
    464-45-9
    Molecular formula:
    C10H18O
    IUPAC Name:
    1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
    Constituent 3
    Chemical structure
    Reference substance name:
    p-mentha-1(7),2-diene
    EC Number:
    209-081-9
    EC Name:
    p-mentha-1(7),2-diene
    CAS Number:
    555-10-2
    Molecular formula:
    C10H16
    IUPAC Name:
    3-methylidene-6-propan-2-ylcyclohexene
    Constituent 4
    Chemical structure
    Reference substance name:
    1,7,7-trimethyltricyclo[2.2.1.02,6]heptane
    EC Number:
    208-083-7
    EC Name:
    1,7,7-trimethyltricyclo[2.2.1.02,6]heptane
    CAS Number:
    508-32-7
    Molecular formula:
    C10H16
    IUPAC Name:
    1,7,7-trimethyltricyclo[2.2.1.0~2,6~]heptane
    Constituent 5
    Chemical structure
    Reference substance name:
    2,3-dimethylbicyclo[2.2.1]hept-2-ene
    CAS Number:
    529-16-8
    Molecular formula:
    C9 H14
    IUPAC Name:
    2,3-dimethylbicyclo[2.2.1]hept-2-ene
    Constituent 6
    Chemical structure
    Reference substance name:
    L-born-2-yl acetate
    EC Number:
    227-101-4
    EC Name:
    L-born-2-yl acetate
    CAS Number:
    5655-61-8
    Molecular formula:
    C12H20O2
    IUPAC Name:
    1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate
    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,4E,9S)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
    Constituent 8
    Chemical structure
    Reference substance name:
    Camphene
    EC Number:
    201-234-8
    EC Name:
    Camphene
    CAS Number:
    79-92-5
    Molecular formula:
    C10H16
    IUPAC Name:
    2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane
    Constituent 9
    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:
    1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl acetate
    Constituent 10
    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-methyleneocta-1,6-diene
    Constituent 11
    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 12
    Chemical structure
    Reference substance name:
    3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
    EC Number:
    236-719-3
    EC Name:
    3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
    CAS Number:
    13466-78-9
    Molecular formula:
    C10H16
    IUPAC Name:
    3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
    Constituent 13
    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 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:
    2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
    Constituent 15
    Chemical structure
    Reference substance name:
    Dipentene
    EC Number:
    205-341-0
    EC Name:
    Dipentene
    CAS Number:
    138-86-3
    Molecular formula:
    C10H16
    IUPAC Name:
    4-isopropenyl-1-methylcyclohexene
    State Form:
    liquid


    Constituent 1
    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:
    2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
    Constituent 2
    Chemical structure
    Reference substance name:
    Camphene
    EC Number:
    201-234-8
    EC Name:
    Camphene
    CAS Number:
    79-92-5
    Molecular formula:
    C10H16
    IUPAC Name:
    2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane
    Constituent 3
    Chemical structure
    Reference substance name:
    3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
    EC Number:
    236-719-3
    EC Name:
    3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
    CAS Number:
    13466-78-9
    Molecular formula:
    C10H16
    IUPAC Name:
    3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
    Constituent 4
    Chemical structure
    Reference substance name:
    L-born-2-yl acetate
    EC Number:
    227-101-4
    EC Name:
    L-born-2-yl acetate
    CAS Number:
    5655-61-8
    Molecular formula:
    C12H20O2
    IUPAC Name:
    1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate
    Constituent 5
    Chemical structure
    Reference substance name:
    Dipentene
    EC Number:
    205-341-0
    EC Name:
    Dipentene
    CAS Number:
    138-86-3
    Molecular formula:
    C10H16
    IUPAC Name:
    4-isopropenyl-1-methylcyclohexene
    Constituent 6
    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 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-methyleneocta-1,6-diene
    Constituent 8
    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 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,4E,9S)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
    Constituent 10
    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:
    1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl acetate
    Constituent 11
    Chemical structure
    Reference substance name:
    2,3-dimethylbicyclo[2.2.1]hept-2-ene
    CAS Number:
    529-16-8
    Molecular formula:
    C9H14
    IUPAC Name:
    2,3-dimethylbicyclo[2.2.1]hept-2-ene
    Constituent 12
    Chemical structure
    Reference substance name:
    p-mentha-1(7),2-diene
    EC Number:
    209-081-9
    EC Name:
    p-mentha-1(7),2-diene
    CAS Number:
    555-10-2
    Molecular formula:
    C10H16
    IUPAC Name:
    3-methylidene-6-propan-2-ylcyclohexene
    Constituent 13
    Chemical structure
    Reference substance name:
    DL-borneol
    EC Number:
    208-080-0
    EC Name:
    DL-borneol
    CAS Number:
    507-70-0
    Molecular formula:
    C10H18O
    IUPAC Name:
    4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol
    Constituent 14
    Chemical structure
    Reference substance name:
    1,7,7-trimethyltricyclo[2.2.1.02,6]heptane
    EC Number:
    208-083-7
    EC Name:
    1,7,7-trimethyltricyclo[2.2.1.02,6]heptane
    CAS Number:
    508-32-7
    Molecular formula:
    C10H16
    IUPAC Name:
    1,7,7-trimethyltricyclo[2.2.1.0~2,6~]heptane
    Constituent 15
    Chemical structure
    Reference substance name:
    4,7,7-trimethylbicyclo[4.1.0]hept-4-ene
    CAS Number:
    4497-92-1
    Molecular formula:
    C10H16
    IUPAC Name:
    4,7,7-trimethylbicyclo[4.1.0]hept-4-ene
    Constituent 16
    Chemical structure
    Reference substance name:
    Humulene
    EC Number:
    229-816-7
    EC Name:
    Humulene
    CAS Number:
    6753-98-6
    Molecular formula:
    C15H24
    IUPAC Name:
    2,6,6,9-tetramethylcycloundeca-1,4,8-triene
    Constituent 17
    Reference substance name:
    not applicable
    Molecular formula:
    not applicable
    IUPAC Name:
    not applicable
    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    Dipentene
    EC Number:
    205-341-0
    EC Name:
    Dipentene
    CAS Number:
    138-86-3
    Molecular formula:
    C10H16
    IUPAC Name:
    4-isopropenyl-1-methylcyclohexene
    Constituent 2
    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:
    2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
    Constituent 3
    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 4
    Chemical structure
    Reference substance name:
    3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
    EC Number:
    236-719-3
    EC Name:
    3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
    CAS Number:
    13466-78-9
    Molecular formula:
    C10H16
    IUPAC Name:
    3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
    Constituent 5
    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 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-methyleneocta-1,6-diene
    Constituent 7
    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:
    1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethyl acetate
    Constituent 8
    Chemical structure
    Reference substance name:
    Camphene
    EC Number:
    201-234-8
    EC Name:
    Camphene
    CAS Number:
    79-92-5
    Molecular formula:
    C10H16
    IUPAC Name:
    2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane
    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,4E,9S)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
    Constituent 10
    Chemical structure
    Reference substance name:
    L-born-2-yl acetate
    EC Number:
    227-101-4
    EC Name:
    L-born-2-yl acetate
    CAS Number:
    5655-61-8
    Molecular formula:
    C12H20O2
    IUPAC Name:
    1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate
    Constituent 11
    Chemical structure
    Reference substance name:
    2,3-dimethylbicyclo[2.2.1]hept-2-ene
    CAS Number:
    529-16-8
    Molecular formula:
    C9 H14
    IUPAC Name:
    2,3-dimethylbicyclo[2.2.1]hept-2-ene
    Constituent 12
    Chemical structure
    Reference substance name:
    1,7,7-trimethyltricyclo[2.2.1.02,6]heptane
    EC Number:
    208-083-7
    EC Name:
    1,7,7-trimethyltricyclo[2.2.1.02,6]heptane
    CAS Number:
    508-32-7
    Molecular formula:
    C10H16
    IUPAC Name:
    1,7,7-trimethyltricyclo[2.2.1.0~2,6~]heptane
    Constituent 13
    Chemical structure
    Reference substance name:
    p-mentha-1(7),2-diene
    EC Number:
    209-081-9
    EC Name:
    p-mentha-1(7),2-diene
    CAS Number:
    555-10-2
    Molecular formula:
    C10H16
    IUPAC Name:
    3-methylidene-6-propan-2-ylcyclohexene
    Constituent 14
    Chemical structure
    Reference substance name:
    (1S-endo)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
    EC Number:
    207-353-1
    EC Name:
    (1S-endo)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
    CAS Number:
    464-45-9
    Molecular formula:
    C10H18O
    IUPAC Name:
    1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    Dipentene
    EC Number:
    205-341-0
    EC Name:
    Dipentene
    CAS Number:
    138-86-3
    Molecular formula:
    C10H16
    IUPAC Name:
    4-isopropenyl-1-methylcyclohexene
    Constituent 2
    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:
    2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
    Constituent 3
    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 4
    Chemical structure
    Reference substance name:
    3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
    EC Number:
    236-719-3
    EC Name:
    3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
    CAS Number:
    13466-78-9
    Molecular formula:
    C10H16
    IUPAC Name:
    3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
    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-methyleneocta-1,6-diene
    Constituent 6
    Chemical structure
    Reference substance name:
    Camphene
    EC Number:
    201-234-8
    EC Name:
    Camphene
    CAS Number:
    79-92-5
    Molecular formula:
    C10H16
    IUPAC Name:
    2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane
    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,4E,9S)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
    Constituent 8
    Chemical structure
    Reference substance name:
    L-born-2-yl acetate
    EC Number:
    227-101-4
    EC Name:
    L-born-2-yl acetate
    CAS Number:
    5655-61-8
    Molecular formula:
    C12H20O2
    IUPAC Name:
    1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate
    Constituent 9
    Chemical structure
    Reference substance name:
    2,3-dimethylbicyclo[2.2.1]hept-2-ene
    CAS Number:
    529-16-8
    Molecular formula:
    C9 H14
    IUPAC Name:
    2,3-dimethylbicyclo[2.2.1]hept-2-ene
    Constituent 10
    Chemical structure
    Reference substance name:
    1,7,7-trimethyltricyclo[2.2.1.02,6]heptane
    EC Number:
    208-083-7
    EC Name:
    1,7,7-trimethyltricyclo[2.2.1.02,6]heptane
    CAS Number:
    508-32-7
    Molecular formula:
    C10H16
    IUPAC Name:
    1,7,7-trimethyltricyclo[2.2.1.0~2,6~]heptane
    Constituent 11