(Z)-3-Hexenyl octanoate

  • Identifiers

    CAS number
    61444-41-5

    Molecular formula
    C14H26O2

    SMILES
    CCCCCCCC(=O)OCC/C=C\CC

    Retention indicies (RI)

    • Carbowax: 1861.0

  • Odor profile

    green 89.93%
    fruity 87.46%
    waxy 69.05%
    tropical 59.75%
    fatty 59.42%
    pear 56.61%
    apple 52.34%
    melon 49.81%
    oily 46.67%
    winey 43.77%

    Scent© AI

  • Properties

    XLogP3-AA
    4.9 Well soluble in BB, IPM, DEP

    Molecular weight
    226.35 g/mol

  • Synonyms

    • cis-3-Hexenyl caprylate
    • (Z)-3-Hexenyl octanoate
    • 61444-41-5
    • 3-Hexenyl octanoate
    • Octanoic acid, 3-hexenyl ester, (Z)-
    • cis-3-hexenyl octanoate
    • EINECS 262-799-4
    • cis-3-Hexanyl n-octanoate
    • Octanoic acid, (3Z)-3-hexenyl ester
    • (3Z)-3-Hexen-1-yl octanoate
    • DTXSID101020052
    • Octanoic acid, (3Z)-3-hexen-1-yl ester
    • [(Z)-hex-3-enyl] octanoate
    • VS9TFA6N4B
    • 3-Hexenyl octanoate, cis-
    • (3Z)-3-Hexenyl octanoate
    • 3-Hexenyl octanoate, (3Z)-
    • SCHEMBL3508497
    • DTXCID301477900
    • (3Z)-HEX-3-EN-1-YL OCTANOATE
    • DB-220274
    • NS00053112
    • Q67866068
    • 262-799-4
1 4

Botanical

Name CAS Botanical Proportion
Lavender (France) 2a 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.56%