• Identifiers

    CAS number
    109-15-9

    Molecular formula
    C12H24O2

    SMILES
    CCCCCCCCOC(=O)C(C)C
    OO

    Retention indicies (RI)

    • Carbowax: 1538.0
  • Odor profile

    fruity 86.04%
    green 78.05%
    herbal 64.88%
    waxy 60.96%
    oily 58.82%
    sweet 56.82%
    fatty 56.49%
    floral 54.78%
    winey 51.34%
    apple 50.44%

    Scent© AI

  • Properties

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

    Molecular weight
    200.32 g/mol

    Vapor pressure est.

    • 0.0303 hPa @ 20°C
    • 0.0492 hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling points

    • 236.00 to 238.00 °C. @ 760.00 mm Hg

    Solubilities

    • very slightly
    • 1 ml in 1 ml 95% alcohol (in ethanol)

  • Synonyms

    • Octyl isobutyrate
    • 109-15-9
    • Octyl 2-methylpropanoate
    • Caprylyl isobutyrate
    • Isobutyric acid, octyl ester
    • n-Octyl isobutyrate
    • PROPANOIC ACID, 2-METHYL-, OCTYL ESTER
    • Acetyl 2-methylpropanoate
    • ENT 24265
    • FEMA No. 2808
NaN of -Infinity
Name CAS Botanical Proportion
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.8%
Tordylium pustulosum fruit (Turkey) Tordylium pustulosum Boiss., fam. Apiaceae (Umbelliferae) 0.8%