Isoamyl propionate

  • Identifiers

    CAS mumber
    105-68-0

    Molecular formula
    C8H16O2

    SMILES
    CCC(=O)OCCC(C)C

    Retention indicies (RI)

    • DB5: 972.0
    • Carbowax: 1179.5

  • Properties

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

    Molecular weight
    144.21 g/mol

    Boiling points

    • 159.00 to 161.00 °C. @ 760.00 mm Hg

    Solubilities

    • Soluble in ethanol and most fixed oils, insoluble in glycerol, propylene glycol and water
    • 1ml in 3ml 70% ethanol (in ethanol)

  • Synonyms

    • Isoamyl propionate
    • 105-68-0
    • 3-Methylbutyl propanoate
    • ISOAMYL PROPANOATE
    • 3-Methylbutyl propionate
    • Isopentyl propionate
    • Isopentyl propanoate
    • Isopentyl alcohol, propionate
    • 1-Butanol, 3-methyl-, propanoate
    • iso-Pentyl propionate
    • Propionic acid, isopentyl ester
    • 3-Methyl-1-butyl propanoate
    • FEMA No. 2082
    • 1-Butanol, 3-methyl-, 1-propanoate
    • NSC 7932
    • Isoamyl propionate (natural)
    • EINECS 203-322-1
    • BRN 1747359
    • iso-Amyl n-propionate
    • UNII-2A8739M82Z
    • AI3-33594
    • NSC-7932
    • 2A8739M82Z
    • WE(4:0(3Me)/3:0)
    • Propionic Acid Isoamyl Ester
    • DTXSID5047613
    • CHEBI:87419
    • FEMA 2082
    • ISOAMYL PROPIONATE [FHFI]
    • MFCD00048611
    • 1-Butanol, propanoate
    • Isopentyl propanoic acid
    • Isopentyl propionic acid
    • 3-Methylbutyl propanoic acid
    • 3-Methylbutyl propionic acid
    • propionic acid isopentyl ester
    • SCHEMBL126952
    • DTXCID3027613
    • NSC7932
    • LMFA07010573
    • AKOS015907837
    • Isoamyl propionate, mixture of isomers
    • Isoamyl propionate, >=98%, FCC, FG
    • LS-13518
    • I0677
    • NS00012664
    • Isoamyl propionate, natural, >=98%, FCC, FG
    • Q10869280
1 3

Botanical

Name CAS Botanical Proportion
Roman chamomile (India) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.08%
Roman chamomile (Germany) 1a hydrodistillate 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.06%
Roman chamomile (Germany) 1b headspace 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.5%
Hyptis crenata (Brazil) Hyptis crenata Pohl ex Benth, fam. Lamiaceae (Labiatae) 0.03%
Calamintha nepeta (France) Calamintha nepeta (L.) Savi ssp. nepeta, fam. Lamiaceae (Labiatae) 0.01%
Eucalyptus tereticornis (Cuba) Eucalyptus tereticornis Smith, fam. Myrtaceae 0.01%