Methyl isovalerate

  • Identifiers

    CAS number
    556-24-1

    Molecular formula
    C6H12O2

    SMILES
    CC(C)CC(=O)OC
    OO

    Safety labels

    Flammable
    Flammable

    Retention indicies (RI)

    • Carbowax: 1029.67

  • Odor profile

    fruity 98.74%
    sweet 87.72%
    pineapple 75.44%
    ethereal 73.13%
    banana 72.55%
    apple 70.21%
    rummy 54.88%
    ripe 51.39%
    green 50.61%
    tropical 50.47%

    Scent© AI

  • Properties

    XLogP3-AA
    1.8 Well soluble in IAA, DEP, MMB

    Molecular weight
    116.16 g/mol

    Vapor pressure est.

    • 14.6157 hPa @ 20°C
    • 19.6423 hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    121°C

    Boiling point expt.

    • 114.00 to 115.00 °C. @ 760.00 mm Hg

    Solubility expt.

    • soluble in alcohol, most fixed oils; insoluble water

  • Synonyms

    • Methyl isovalerate
    • Methyl 3-methylbutanoate
    • 556-24-1
    • Methyl isopentanoate
    • Methyl 3-methylbutyrate
    • Isovaleric acid, methyl ester
    • Butanoic acid, 3-methyl-, methyl ester
    • Methyl isovalerianate
    • FEMA No. 2753
    • Isovaleric Acid Methyl Ester
NaN -Infinity

Botanical

Name CAS Botanical Proportion
Sage, dalmatian 3 8022-56-8 Salvia officinalis L., fam. Lamiaceae (Labiatae) 0.05%
Origanum syriacum (Turkey) 2 Origanum syriacum L. var. bevanii (Holmes) Ietswaart, fam. Lamiaceae 0.01%
Jasmine sambac (China) headspace Jasminum sambac (L.) Aiton, fam. Oleaceae 0.1%
Oregano, spanish (Turkey) 8007-11-2 Coridothymus capitatus Rchb. (Thymus capitatus Hoffm. et Link.), Lamiaceae 0.07%
Banana passa headspace extract (Brazil) 89957-82-4 Musa cavendishii cultivar nanica, fam. Musaceae 0.05%