Methyl cis-geranate

  • Identifiers

    CAS number
    1862-61-9

    Molecular formula
    C11H18O2

    SMILES
    CC(=CCC/C(=C\C(=O)OC)/C)C

    Retention indicies (RI)

    • DB5: 1279.0

  • Odor profile

    fruity 84.98%
    green 79.41%
    floral 76.28%
    citrus 68.55%
    rose 65.59%
    sweet 63.78%
    herbal 60.15%
    fresh 55.13%
    waxy 48.79%
    woody 48.78%

    Scent© AI

  • Properties

    XLogP3-AA
    3.4 Well soluble in BB, DEP, MMB

    Molecular weight
    182.26 g/mol

  • Synonyms

    • Methyl nerate
    • 1862-61-9
    • Methyl nerolate
    • cis-Geranic Acid methyl ester
    • Z-Methyl geranate
    • Methyl (Z)-3,7-dimethylocta-2,6-dienoate
    • methyl (2Z)-3,7-dimethylocta-2,6-dienoate
    • UNII-VBZ4J48WZZ
    • VBZ4J48WZZ
    • 2,6-Octadienoic acid, 3,7-dimethyl-, methyl ester, (2Z)-
    • EINECS 217-466-8
    • 2,6-Octadienoic acid, 3,7-dimethyl-, methyl ester, (Z)-
    • (Z)-Geranic acid, methyl ester
    • DTXSID90883763
    • cis-2,6-Octadienoic acid, 3,7-dimethyl-, methyl ester
    • Methyl neric acid
    • SCHEMBL17629195
    • DTXCID001023253
    • Methyl(Z)-3,7-dimethylocta-2,6-dienoate
    • NS00012883
    • Methyl (2Z)-3,7-dimethyl-2,6-octadienoate #
    • Q27291753
    • 217-466-8
1 4

Botanical

Name CAS Botanical Proportion
Rose (Bulgaria) 3a 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.02%
Rose (Bulgaria) 2 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.01%
Rose headspace 1 8007-01-0 Rosa damascena Mill., cv. Othello, fam. Rosaceae 0.07%
Elsholtzia ciliata (Vietnam) Elsholtzia ciliata (Thunb.) Hyland., fam. Lamiaceae (Labiatae) 0.5%