Neryl isobutyrate

  • Identifiers

    CAS mumber
    2345-24-6

    Molecular formula
    C14H24O2

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

    Retention indicies (RI)

    • DB5: 1491.0
    • Carbowax: 1764.0

  • Properties

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

    Molecular weight
    224.34 g/mol

    Boiling points

    • 135.00 °C. @ 13.00 mm Hg

    Solubilities

    • practically insoluble in water
    • 1 ml in 5 ml 80% alcohol (in ethanol)

  • Synonyms

    • Neryl isobutyrate
    • 2345-24-6
    • Geranyl 2-methylpropanoate
    • FEMA No. 2775
    • Neryl isobutyrate (natural)
    • Propanoic acid, 2-methyl-, (2Z)-3,7-dimethyl-2,6-octadienyl ester
    • Propanoic acid, 2-methyl-, (2Z)-3,7-dimethyl-2,6-octadien-1-yl ester
    • Neryl 2-methylpropanoate, cis-
    • EINECS 219-061-1
    • cis-3,7-Dimethyl-2,6-octadien-1-yl isobutyrate
    • M9941BHL2O
    • 3,7-Dimethyl-2,6-octadienyl isobutyrate, (Z)-
    • 3,7-Dimethyl-2,6-octadienyl 2-methylpropanoate, cis-
    • 3,7-Dimethyl-2,6-octadienyl 2-methylpropanoate, (Z)-
    • Isobutyric acid, 3,7-dimethyl-2,6-octadienyl ester, (Z)-
    • NERYL ISOBUTYRATE [FHFI]
    • (Z)-2-Methylpropanoic acid 3,7-dimethyl-2,6-octadienyl ester
    • DTXSID30883828
    • geranyl isobutanoate
    • Propanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)-
    • Propanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (Z)-
    • [(2Z)-3,7-dimethylocta-2,6-dienyl] 2-methylpropanoate
    • (2Z)-3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate
    • Isobutyric acid, (E)-3,7-dimethyl-2,6-octadienyl ester
    • 3,7-Dimethyl-2,6-octadienyl isobutyrate
    • trans-3-7-Dimethyl-2,6-octadienyl isobutyrate
    • ((2Z)-3,7-dimethylocta-2,6-dienyl) 2-methylpropanoate
    • UNII-M9941BHL2O
    • Neryl iso-butyrate
    • geranyl iso-butyrate
    • neryl methylpropanoate
    • SCHEMBL1532475
    • FEMA 2513
    • CHEBI:171784
    • DTXCID801023314
    • LMFA07010895
    • AKOS024319236
    • AS-75605
    • Neryl isobutyrate, >=97%, stabilized, FG
    • CS-0449872
    • NS00124026
    • (E)-3,7-Dimethyl-2,6-octadienyl isobutyrate
    • E79175
    • (Z)-3,7-dimethylocta-2,6-dien-1-yl isobutyrate
    • 3,7-Dimethyl-isobutyratetrans-2,6-Octadien-1-ol
    • 2-cis-3,7-Dimethyl-2,6-octadien-1-yl isobutyrate
    • trans-3,7-dimethyl-2,6-octadien-1-yl isobutyrate
    • (2Z)-3,7-Dimethyl-2,6-octadienyl 2-methylpropanoate
    • (E)-3,7-Dimethyl-2,6-octadienyl 2-methylpropanoate
    • Q27283713
    • (2E)-3,7-Dimethyl-2,6-octadienyl 2-methylpropanoate #
    • 3,7-Dimethyl-2,6-octadienyl estertrans-Isobutyric acid
    • trans-3,7-Dimethyl-2,6-octadien-1-yl 2-methylpropanoate
    • Isobutyric acid, 3,7-dimethyl-2,6-octadienyl ester, (Z)-(8CI)
    • Propanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, trans-
    • Propanoic acid,2-methyl-,(2Z)-3,7-dimethyl-2,6-octadien-1-yl ester
    • Propionic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, trans-
    • 219-061-1
1 3

Botanical

Name CAS Botanical Proportion
Wormwood (Mugwort) (Italy) 1 8008-93-3 Artemisia absinthium L., fam. Asteraceae (Compositae) 1.0%
Wormwood (Mugwort) (U.S.A.) 2 8008-93-3 Artemisia absinthium L., fam. Asteraceae (Compositae) 1.44%
Wormwood (Mugwort) (U.S.A.) 4 8008-93-3 Artemisia absinthium L., var. 'Powis Castle', fam. Asteraceae (Compositae) 0.55%
Thymus funkii Thymus funkii Cosson, fam. Lamiaceae (Labiatae) 0.05%
Schizogyne glaberrima (Spain/Canary Islands) Schizogyne glaberrima DC., fam. Asteraceae (Compositae) 0.01%