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Identification

Chemical structure
Display Name:
Essential oil of Citrus aurantium var. amara or Bigaradia (Rutaceae) obtained from the flowers by steam distillation
EC Number:
639-655-8
CAS Number:
8016-38-4
Molecular formula:
not applicable for a UVCB substance
IUPAC Name:
Essential oil of Citrus aurantium var. amara or Bigaradia (Rutaceae) obtained from the flowers by steam distillation

Type of Substance

Composition:
UVCB
Origin:
organic

Substance Identifiers open all close all

  • 277-143-2
  • 72968-50-4
  • Compositions

    Boundary Composition(s) open all close all

    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    (R)-p-mentha-1,8-diene
    EC Number:
    227-813-5
    EC Name:
    (R)-p-mentha-1,8-diene
    CAS Number:
    5989-27-5
    Molecular formula:
    C10H16
    IUPAC Name:
    4-isopropenyl-1-methylcyclohexene
    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:
    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:
    Linalyl acetate
    EC Number:
    204-116-4
    EC Name:
    Linalyl acetate
    CAS Number:
    115-95-7
    Molecular formula:
    C12H20O2
    IUPAC Name:
    1,5-dimethyl-1-vinylhex-4-en-1-yl acetate
    Constituent 5
    Chemical structure
    Reference substance name:
    3,7-dimethylocta-1,3,6-triene
    EC Number:
    237-641-2
    EC Name:
    3,7-dimethylocta-1,3,6-triene
    CAS Number:
    13877-91-3
    Molecular formula:
    C10H16
    IUPAC Name:
    3,7-dimethylocta-1,3,6-triene
    Constituent 6
    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:
    p-menth-1-en-8-ol
    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:
    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 9
    Chemical structure
    Reference substance name:
    Geraniol
    EC Number:
    203-377-1
    EC Name:
    Geraniol
    CAS Number:
    106-24-1
    Molecular formula:
    C10H18O
    IUPAC Name:
    3,7-dimethylocta-2,6-dien-1-ol
    Constituent 10
    Chemical structure
    Reference substance name:
    3,7,11-trimethyldodeca-1,6,10-trien-3-ol,mixed isomers
    EC Number:
    230-597-5
    EC Name:
    3,7,11-trimethyldodeca-1,6,10-trien-3-ol,mixed isomers
    CAS Number:
    7212-44-4
    Molecular formula:
    C15H26O
    IUPAC Name:
    3,7,11-trimethyldodeca-1,6,10-trien-3-ol
    Constituent 11
    Chemical structure
    Reference substance name:
    Nerol
    EC Number:
    203-378-7
    EC Name:
    Nerol
    CAS Number:
    106-25-2
    Molecular formula:
    C10H18O
    IUPAC Name:
    3,7-dimethylocta-2,6-dien-1-ol
    Constituent 12
    Chemical structure
    Reference substance name:
    Farnesol
    EC Number:
    225-004-1
    EC Name:
    Farnesol
    CAS Number:
    4602-84-0
    Molecular formula:
    C15H26O
    IUPAC Name:
    3,7,11-trimethyldodeca-2,6,10-trien-1-ol
    Constituent 13
    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:
    3,7-dimethylocta-2,6-dien-1-yl acetate
    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:
    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:
    1-isopropyl-4-methylenebicyclo[3.1.0]hexane
    Constituent 16
    Chemical structure
    Reference substance name:
    Indole
    EC Number:
    204-420-7
    EC Name:
    Indole
    CAS Number:
    120-72-9
    Molecular formula:
    C8H7N
    IUPAC Name:
    1H-indole
    Constituent 17
    Chemical structure
    Reference substance name:
    Methyl anthranilate
    EC Number:
    205-132-4
    EC Name:
    Methyl anthranilate
    CAS Number:
    134-20-3
    Molecular formula:
    C8H9NO2
    IUPAC Name:
    methyl 2-aminobenzoate
    Constituent 18
    Reference substance name:
    Unknown and other minor constituents of Essential Oil of Citrus aurantium var. amara obtained from the flowers by steam distillation .
    IUPAC Name:
    Unknown and other minor constituents of Essential Oil of Citrus aurantium var. amara obtained from the flowers by steam distillation .

    Legal Entity Composition(s) open all close all

    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    Nerol
    EC Number:
    203-378-7
    EC Name:
    Nerol
    CAS Number:
    106-25-2
    Molecular formula:
    C10H18O
    IUPAC Name:
    3,7-dimethylocta-2,6-dien-1-ol
    Constituent 2
    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:
    3,7-dimethylocta-2,6-dien-1-yl acetate
    Constituent 3
    Chemical structure
    Reference substance name:
    (R)-p-mentha-1,8-diene
    EC Number:
    227-813-5
    EC Name:
    (R)-p-mentha-1,8-diene
    CAS Number:
    5989-27-5
    Molecular formula:
    C10H16
    IUPAC Name:
    4-isopropenyl-1-methylcyclohexene
    Constituent 4
    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 5
    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 6
    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:
    1,5-dimethyl-1-vinylhex-4-en-1-yl acetate
    Constituent 7
    Chemical structure
    Reference substance name:
    3,7-dimethylocta-1,3,6-triene
    EC Number:
    237-641-2
    EC Name:
    3,7-dimethylocta-1,3,6-triene
    CAS Number:
    13877-91-3
    Molecular formula:
    C10H16
    IUPAC Name:
    3,7-dimethylocta-1,3,6-triene
    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:
    p-menth-1-en-8-ol
    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-methyleneocta-1,6-diene
    Constituent 10
    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 11
    Chemical structure
    Reference substance name:
    Geraniol
    EC Number:
    203-377-1
    EC Name:
    Geraniol
    CAS Number:
    106-24-1
    Molecular formula:
    C10H18O
    IUPAC Name:
    3,7-dimethylocta-2,6-dien-1-ol
    Constituent 12
    Chemical structure
    Reference substance name:
    3,7,11-trimethyldodeca-1,6,10-trien-3-ol,mixed isomers
    EC Number:
    230-597-5
    EC Name:
    3,7,11-trimethyldodeca-1,6,10-trien-3-ol,mixed isomers
    CAS Number:
    7212-44-4
    Molecular formula:
    C15H26O
    IUPAC Name:
    3,7,11-trimethyldodeca-1,6,10-trien-3-ol
    Constituent 13
    Chemical structure
    Reference substance name:
    Farnesol
    EC Number:
    225-004-1
    EC Name:
    Farnesol
    CAS Number:
    4602-84-0
    Molecular formula:
    C15H26O
    IUPAC Name:
    3,7,11-trimethyldodeca-2,6,10-trien-1-ol
    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:
    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:
    1-isopropyl-4-methylenebicyclo[3.1.0]hexane