Citronellyl isobutyrate

  • Identifiers

    CAS mumber
    97-89-2

    Molecular formula
    C14H26O2

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

    Retention indicies (RI)

    • DB5: 1482.0
    • Carbowax: 1705.0

  • Properties

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

    Molecular weight
    226.35 g/mol

    Boiling points

    • 249.00 °C. @ 760.00 mm Hg

    Solubilities

    • miscible with alcohol, chloroform, ether, most fixed oils; insoluble in water
    • 1 ml in 6 ml 80% alcohol gives clear soln (in ethanol)

  • Synonyms

    • Citronellyl isobutyrate
    • 97-89-2
    • PROPANOIC ACID, 2-METHYL-, 3,7-DIMETHYL-6-OCTENYL ESTER
    • Citronellyl 2-methylpropanoate
    • 3,7-Dimethyloct-6-enyl isobutyrate
    • FEMA No. 2313
    • 3,7-dimethyloct-6-enyl 2-methylpropanoate
    • 3,7-Dimethyl-6-octen-1-yl isobutyrate
    • 3,7-dimethyloct-6-en-1-yl 2-methylpropanoate
    • Isobutyric acid, 3,7-dimethyl-6-octenyl ester
    • 3,7-Dimethyl-6-octenyl isobutyrate
    • Citronellyl isobutanoate
    • 3,7-Dimethyl-6-octenyl methylpropionate
    • 3,7-Dimethyloct-6-en-1-yl isobutyrate
    • UNII-5RZR3JKW1P
    • 5RZR3JKW1P
    • EINECS 202-616-7
    • NSC 46148
    • 3,7-Dimethyl-6-octen-1-yl 2-methylpropanoate
    • Propanoic acid, 2-methyl-, 3,7-dimethyl-6-octen-1-yl ester
    • DTXSID7052652
    • Propanoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl
    • AI3-33225
    • citronellyl iso-butyrate
    • NSC-46148
    • DTXCID4031225
    • FEMA 2313
    • CITRONELLYL ISOBUTYRATE [FCC]
    • CITRONELLYL ISOBUTYRATE [FHFI]
    • CITRONELLYL ISOBUTYRATE, (RS)-
    • CITRONELLYL ISOBUTYRATE, (+/-)-
    • 3,7-Dimethyl-6-octenyl 2-methylpropanoate
    • Isobutyric acid, 3,7-dimethyl-6-octenyl ester (8CI)
    • Citronellyl isobutyric acid
    • SCHEMBL133434
    • CHEBI:171867
    • NSC46148
    • Tox21_303859
    • LMFA07010817
    • MFCD00026443
    • AKOS024319238
    • 3,7-Dimethyloct-6-en-1-ylisobutyrate
    • Citronellyl isobutyrate, >=92%, FCC
    • CAS-97-89-2
    • NCGC00357124-01
    • AS-76037
    • DB-240387
    • DB-254259
    • Isobutyric acid,7-dimethyl-6-octenyl ester
    • NS00012115
    • 3,7-Dimethyl-6-octenyl 2-methylpropanoate #
    • Propanoic acid, 3,7-dimethyl-6-octenyl ester
    • E85258
    • Q27262794
    • 2-methylpropanoic acid 3,7-dimethyl-oct-6-en-1-ylester
    • 2-Methyl-propanoic acid 3,7-dimethyl-6-octen-1-yl ester
    • Propanoic acid,2-methyl-,3,7-dimethyl-6-octen-1-yl ester
1 3

Botanical

Name CAS Botanical Proportion
Skimmia laureola (India) 1 Skimmia laureola Sieb. et Zucc., fam. Rutaceae 0.14%
Narcissus poeticus absolute 8023-75-4 Narcissus poeticus L., fam. Amaryllidaceae 0.1%
Geranium (China, Yunnan) 6 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.11%