Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation

Substance identity

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

EC name

Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation

EC number

277-143-2

277-143-2

277-143-2

946-433-7

CAS number

72968-50-4

72968-50-4

72968-50-4

8014-17-3

8014-17-3

Common name

Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distiliation

Trade name

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)

Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation

State Form:

liquid

Constituent 1

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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:

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

Composition 2

State Form:

liquid

Constituent 1

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation

State Form:

liquid

Constituent 1

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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)

Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation

State Form:

liquid

Constituent 1

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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:

(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

Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation

State Form:

liquid

Constituent 1

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Petitgrain Oil

State Form:

liquid

Constituent 1

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Esssential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation

State Form:

liquid

Constituent 1

Reference substance name:

Unknown constituents/impurities

IUPAC Name:

Unknown constituents/impurities

Constituent 2

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 3

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 4

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 5

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 6

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