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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

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