Citronellyl heptanoate

  • Identifiers

    CAS number
    72934-17-9

    Molecular formula
    C17H32O2

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

  • Odor profile

    floral 85.25%
    rose 79.44%
    fruity 72.62%
    waxy 59.11%
    green 49.76%
    sweet 44.87%
    geranium 44.38%
    oily 43.72%
    winey 43.08%
    herbal 42.34%

    Scent© AI

  • Properties

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

    Molecular weight
    268.4 g/mol

    Vapor pressure est.

    • 0 hPa @ 20°C
    • 0.0001 hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    308°C

  • Synonyms

    • Citronellyl heptanoate
    • Citronellol heptanoate
    • SCHEMBL19900625
    • JZTNHMKNNVAGPD-UHFFFAOYSA-N
    • 3,7-Dimethyloct-6-en-1-yl heptanoate
    • Heptanoic acid, 3,7-dimethyl-6-octenyl ester
    • Heptanoic acid, 3,7-dimethyl-6-octen-1-yl ester
    • 72934-17-9
NaN -Infinity

IFRA Standard 51

Recommendation
No restriction

Botanical

Name CAS Botanical Proportion
Geranium (India) 15a cv. Kunti 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, cv. Kunti, fam. Geraniaceae 0.1%