Methyl 3-methylthiopropionate

  • Identifiers

    CAS number
    13532-18-8

    Molecular formula
    C5H10O2S

    SMILES
    COC(=O)CCSC
    OOS

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1548.0

  • Odor profile

    fruity 84.94%
    sulfurous 78.99%
    sweet 69.77%
    tropical 65.49%
    green 61.05%
    vegetable 60.96%
    cheesy 57.58%
    onion 53.9%
    cabbage 50.68%
    pineapple 49.71%

    Scent© AI

  • Properties

    XLogP3-AA
    0.7 Well soluble in MMB, TEC, IAA

    Molecular weight
    134.2 g/mol

    Vapor pressure est.

    • 0.5192 hPa @ 20°C
    • 0.7544 hPa @ 25°C

    Evaporation rate
    Fast

    Boiling points

    • 74.00 to 75.00 °C. @ 13.00 mm Hg

    Solubilities

    • very slightly
    • very slightly soluble in water, soluble in alcohol

  • Synonyms

    • Methyl 3-(methylthio)propionate
    • 13532-18-8
    • Methyl 3-methylthiopropionate
    • Methyl 3-(methylthio)propanoate
    • methyl 3-methylsulfanylpropanoate
    • Methyl-3-(methylthio)propionate
    • Propanoic acid, 3-(methylthio)-, methyl ester
    • Methyl beta-methiopropionate
    • Methyl 3-(methylsulfanyl)propanoate
    • Propionic acid, 3-(methylthio)-, methyl ester
NaN -Infinity

Botanical

Name CAS Botanical Proportion
Averrhoa bilimbi fruit (Malaysia) Averrhoa bilimbi L., fam. Oxalidaceae 0.1%
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 8.36%