Citronellyl 3-methylbutyrate

  • Identifiers

    CAS number
    68922-10-1

    Molecular formula
    C15H28O2

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

    Retention indicies (RI)

    • Carbowax: 1800.0

  • Odor profile

    floral 82.1%
    fruity 78.18%
    rose 77.05%
    herbal 56.12%
    sweet 53.01%
    apple 49.79%
    citrus 49.71%
    geranium 46.06%
    green 45.78%
    waxy 42.97%

    Scent© AI

  • Properties

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

    Molecular weight
    240.38 g/mol

    Boiling points

    • 237.00 °C. @ 760.00 mm Hg

  • Synonyms

    • Citronellyl isovalerate
    • 68922-10-1
    • 3,7-dimethyloct-6-enyl 3-methylbutanoate
    • 3,7-Dimethyl-6-octenyl isovalerate
    • Citronellyl iso-valerate
    • 3,7-Dimethyloct-6-enyl isovalerate
    • Butanoic acid, 3-methyl-, 3,7-dimethyl-6-octenyl ester
    • 3,7-Dimethyl-6-octen-1-yl 3-methylbutanoate
    • EINECS 272-982-0
    • EINECS 300-077-3
    • Butanoic acid, 3-methyl-, 3,7-dimethyl-6-octen-1-yl ester
    • 3,7-DIMETHYLOCT-6-EN-1-YL 3-METHYLBUTANOATE
    • (1)-3,7-Dimethyloct-6-enyl isovalerate
    • DTXSID60867757
    • SCHEMBL872895
    • DTXCID30225002
    • CHEBI:171853
    • LMFA07010818
    • 3,7-Dimethyl-6-octenyl 3-methylbutanoate
    • 3,7-Dimethyl-6-octenyl 3-methylbutanoate #
    • NS00012238
    • 3-methylbutanoic acid 3,7-dimethyl-oct-6-en-1-yl ester
    • 272-982-0
1 4

Botanical

Name CAS Botanical Proportion
Geranium (Algeria) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.01%
Geranium, Bourbon 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.01%
Geranium (China) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.01%
Geranium (Egypt) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.01%
Geranium (Morocco) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.01%