Methyl 3-methylbutanoate

  • Identifiers

    CAS mumber
    556-24-1

    Molecular formula
    C6H12O2

    SMILES
    CC(C)CC(=O)OC

    Retention indicies (RI)

    • Carbowax: 1029.67

  • Properties

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

    Molecular weight
    116.16 g/mol

    Boiling points

    • 114.00 to 115.00 °C. @ 760.00 mm Hg

    Solubilities

    • 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
    • Methyl isovalerate (natural)
    • 3-Methylbutanoic acid methyl ester
    • EINECS 209-117-3
    • Methyl iso-valerate
    • isopentanoic acid methyl ester
    • BRN 1699922
    • UNII-QPS4788198
    • QPS4788198
    • METHYL ISOVALERATE [MI]
    • DTXSID5060300
    • METHYL ISOVALERATE [FCC]
    • FEMA 2753
    • METHYL ISOVALERATE [FHFI]
    • 3-methyl-butanoic acid methyl ester
    • 4-02-00-00897 (Beilstein Handbook Reference)
    • UN 2400
    • methylisovalerate
    • UN2400
    • MFCD00042866
    • Isovaleric acid-methyl ester
    • Methyl 3-methylbutanoic acid
    • Methyl isovalerate [UN2400] [Flammable liquid]
    • SCHEMBL112862
    • DTXCID2041911
    • CHEBI:89832
    • Methyl isovalerate, >=99%, FG
    • 3-methyl-butyric acid methyl ester
    • BBL011395
    • LMFA07010950
    • STL146498
    • AKOS005721109
    • HY-W540636
    • Methyl isovalerate, >=98.0% (GC)
    • Methyl isovalerate, analytical standard
    • AS-40996
    • DB-003722
    • I0198
    • NS00012914
    • EN300-220515
    • Methyl isovalerate [UN2400] [Flammable liquid]
    • Q27162017
    • 209-117-3
1 3

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%