Propyl isobutyrate

  • Identifiers

    CAS mumber
    644-49-5

    Molecular formula
    C7H14O2

    SMILES
    CCCOC(=O)C(C)C

    Retention indicies (RI)

    • Carbowax: 1044.0

  • Properties

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

    Molecular weight
    130.18 g/mol

    Boiling points

    • 133.00 to 134.00 °C. @ 760.00 mm Hg

    Solubilities

    • soluble in organic solvents, alcohol; insoluble in water

  • Synonyms

    • PROPYL ISOBUTYRATE
    • 644-49-5
    • Propyl 2-methylpropanoate
    • Isobutyric acid n-propyl ester
    • Isobutyric acid, propyl ester
    • Propanoic acid, 2-methyl-, propyl ester
    • Propyl isobutanoate
    • n-Propyl isobutyrate
    • n-Propyl 2-methylpropanoate
    • FEMA No. 2936
    • UNII-Q0080Q3HHP
    • Propyl isobutyrate (natural)
    • Q0080Q3HHP
    • n-Propyl iso-butyrate
    • EINECS 211-417-4
    • NSC-406702
    • AI3-06018
    • PROPYL ISOBUTYRATE [FHFI]
    • DTXSID30214653
    • NSC 406702
    • n-Propyl-2-methylpropanoate
    • Isobutyric Acid Propyl Ester
    • MFCD00053781
    • Propyl 2-methylpropanoate #
    • SCHEMBL101436
    • CHEBI:89857
    • FEMA 2936
    • DTXCID60137144
    • Propyl isobutyrate, >=97%, FG
    • 2-methylpropanoic acid propyl ester
    • NSC406702
    • AKOS008948134
    • LS-13341
    • I0108
    • NS00022619
    • D91081
    • Q27162039
    • 211-417-4
1 3

Botanical

Name CAS Botanical Proportion
Roman chamomile (India) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.06%
Clove leaf (Indonesia) 1 8000-34-8 Eugenia caryophyllus (Spreng.) Bullock & Harrison, fam. Myrtaceae 0.05%
Roman chamomile (Japan) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.11%
Artabotrys hexapetalus flower headspace (China) Artabotrys hexapetalus (L.) f. Bhandari, fam. Annonaceae 1.68%