2-Octen-1-yl butyrate, (2E)-

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    84642-60-4

    Molecular formula
    C12H22O2

    SMILES
    CCCCC/C=C/COC(=O)CCC
    OO

  • Odor profile

    fruity 88.46%
    green 72.89%
    waxy 69.02%
    fatty 63.62%
    pear 61.31%
    tropical 53.78%
    apple 51.8%
    pineapple 51.03%
    melon 45.71%
    winey 43.23%

    Scent© AI

  • Properties

    XLogP3-AA
    3.9 Well soluble in BB, DEP, IAA

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • 0.0154 hPa @ 20°C
    • 0.0256 hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    244°C

    Solubility expt.

    • Soluble in fats; Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • (E)-Oct-2-enyl butyrate
    • 84642-60-4
    • [(E)-oct-2-enyl] butanoate
    • FEMA No. 3517
    • trans-2-Octen-1-yl butanoate
    • (E)-2-Octenyl butyrate
    • 2-Octen-1-yl butyrate, (2E)-
    • KQY9P705GY
    • 2-Octenyl butanoate, (E)-
    • Butanoic acid, 2-octenyl ester, (E)-
NaN -Infinity

IFRA Standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Parsnip (Germany) 2d green fruit 90082-39-6 Pastinaca sativa L., fam. Apiaceae (Umbelliferae) 2.41%
Parsnip (Germany) 3a wild fruit 90082-39-6 Pastinaca sativa L., fam. Apiaceae (Umbelliferae) 0.95%
Parsnip (Germany) 3b cultivated fruit 90082-39-6 Pastinaca sativa L., fam. Apiaceae (Umbelliferae) 2.2%
Parsnip (Germany) 3c botanic garden fruit 90082-39-6 Pastinava sativa L., fam. Apiaceae (Umbelliferae) 1.9%