Citronellyl hexanoate

  • Identifiers

    CAS number
    10580-25-3

    Molecular formula
    C16H30O2

    SMILES
    CCCCCC(=O)OCCC(C)CCC=C(C)C

  • Odor profile

    floral 82.71%
    fruity 81.13%
    rose 78.4%
    waxy 57.16%
    green 53.49%
    sweet 47.57%
    geranium 46.08%
    winey 45.19%
    herbal 44.6%
    apple 44.38%

    Scent© AI

  • Properties

    XLogP3-AA
    5.7 Well soluble in IPM, BB, DOA

    Molecular weight
    254.41 g/mol

    Boiling points

    • 240.00 °C. @ 760.00 mm Hg

  • Synonyms

    • Citronellyl hexanoate
    • Citronellyl caproate
    • 10580-25-3
    • 3,7-dimethyloct-6-enyl hexanoate
    • Hexanoic acid, 3,7-dimethyl-6-octenyl ester
    • 3,7-dimethyloct-6-en-1-yl hexanoate
    • Hexanoic acid, 3,7-dimethyl-6-octen-1-yl ester
    • EINECS 234-175-1
    • DTXSID10864291
    • SCHEMBL560301
    • DTXCID60812828
    • CHEBI:170090
    • LMFA07010816
    • DB-243590
    • NS00052434
    • Hexanoic acid 3,7-dimethyl-6-octen-1-yl ester
    • Q67879811
    • 234-175-1
1 4

Botanical

Name CAS Botanical Proportion
Geranium (China, Yunnan) 6 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.09%
Rose (Bulgaria) 2 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.01%
Geranium (Egypt) 4 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.16%
Geranium (India) 15a cv. Kunti 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, cv. Kunti, fam. Geraniaceae 0.1%
Geranium (India) 15b cv. Kunti variant 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, cv.Kunti variant, fam. Geraniace 0.1%