Citronellyl octanoate

  • Identifiers

    CAS number
    O72934-05-5

    Molecular formula
    C18H34O2

    SMILES
    CCCCCCCC(=O)OCCC(C)CCC=C(C)C
    OO

    Retention indicies (RI)

    • Carbowax: 1880.0

  • Odor profile

    floral 86.49%
    rose 79.49%
    fruity 65.14%
    waxy 62.78%
    green 47.4%
    oily 46.12%
    sweet 44.81%
    geranium 41.42%
    winey 40.07%
    herbal 38.32%

    Scent© AI

  • Properties

    XLogP3-AA
    6.8 Well soluble in IPM, DOA, IPP

    Molecular weight
    282.5 g/mol

    Vapor pressure est.

    • 0 hPa @ 20°C
    • 0 hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    321°C

  • Synonyms

    • Citronellyl octanoate
    • 72934-05-5
    • citronellyl caprylate
    • 3,7-dimethyloct-6-enyl octanoate
    • Octanoic acid, 3,7-dimethyl-6-octenyl ester
    • Citronellol caprylate
    • 3,7-Dimethyloct-6-en-1-yl octanoate
    • DTXSID80335786
    • Octanoic acid, 3,7-dimethyl-6-octen-1-yl ester
    • SCHEMBL2171493
NaN -Infinity

IFRA Standard 51

Recommendation
No restriction

Botanical

Name CAS Botanical Proportion
Geranium (China, Yunnan) 6 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.03%
Geranium (India) 15a cv. Kunti 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, cv. Kunti, fam. Geraniaceae 0.2%