Methyl isohexanoate

  • Identifiers

    CAS mumber
    2412-80-8

    Molecular formula
    C7H14O2

    SMILES
    CC(C)CCC(=O)OC

  • Properties

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

    Molecular weight
    130.18 g/mol

    Boiling points

    • 139.00 to 140.00 °C. @ 760.00 mm Hg

    Solubilities

    • soluble in alcohol, most fixed oils; insoluble in water

  • Synonyms

    • Methyl 4-methylvalerate
    • METHYL 4-METHYLPENTANOATE
    • 2412-80-8
    • Methyl isocaproate
    • Methyl isohexanoate
    • Pentanoic acid, 4-methyl-, methyl ester
    • Methyl isobutylacetate
    • Valeric acid, 4-methyl-, methyl ester
    • methyl 4-methyl valerate
    • 4-Methylvaleric acid methyl ester
    • FEMA No. 2721
    • J4R2BY5GJT
    • FEMA 2721
    • 4-methylpentanoic acid methyl ester
    • EINECS 219-320-9
    • DTXSID0062393
    • 4-Methylvaleric acid, methyl ester
    • METHYL 4-METHYLVALERATE [FHFI]
    • UNII-J4R2BY5GJT
    • 4-Methylpentanoic Acid Methyl Ester; Methyl 4-Methylpentanoate; Methyl 4-Methylvalerate; Methyl Isocaproate; Methyl Isohexanoate
    • methyl-4-methylpentanoate
    • SCHEMBL125808
    • DTXCID7037008
    • CHEBI:179994
    • Methyl 4-methylvalerate, >=97%
    • LMFA07010953
    • AKOS008903317
    • Pentanoic acid,4-methyl-,methyl ester
    • AS-86425
    • DB-080822
    • NS00012933
    • Q27281203
    • 219-320-9
1 3

Botanical

Name CAS Botanical Proportion
Michelia alba flower headspace (China) Michelia alba DC., fam. Magnoliaceae 0.55%