Methyl (3-methylthio)propanoate

  • Identifiers

    CAS number
    13532-18-8

    Molecular formula
    C5H10O2S

    SMILES
    COC(=O)CCSC

    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, DEP

    Molecular weight
    134.2 g/mol

    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
    • FEMA No. 2720
    • Methyl beta-methylthiopropionate
    • Methyl beta-methylmercaptopropionate
    • methyl 3-methylthiopropanoate
    • NSC 76415
    • 3-(Methylthio)propanoic acid methyl ester
    • Methyl 3-(methylmercapto)propionate
    • EINECS 236-883-6
    • NSC-76415
    • METHYL3-(METHYLTHIO)PROPIONATE
    • 28913SS9T9
    • AI3-36712
    • DTXSID0047402
    • Methyl-3-methylmercaptopropionate
    • methyl-3-(methylthio) propionate
    • Methyl .beta.-methylthiopropionate
    • METHYL (METHYLTHIO)PROPIONATE
    • METHYL-3-METHYLTHIOPROPIONATE
    • Methyl .beta.-methylmercaptopropionate
    • METHYL-3-METHYLTHIOPROPIONATE [FCC]
    • METHYL 3-METHYLTHIOPROPIONATE [FHFI]
    • Methyl ester of 3-(methylthio)propanoic acid
    • Propionic acid, 3-(methylthio)-, methyl ester (8CI)
    • UNII-28913SS9T9
    • MFCD00008565
    • 3-(Methylthio)propionic Acid Methyl Ester
    • Methyl methylthiopropanoate
    • SCHEMBL857398
    • CHEMBL119603
    • methyl 3-methylsulanylpropanoate
    • DTXCID8027402
    • DMMJVMYCBULSIS-UHFFFAOYSA-
    • FEMA 2720
    • Methyl beta -methylthiopropionate
    • CHEBI:173552
    • NSC76415
    • Methyl beta -methylmercaptopropionate
    • 2-Methoxycarbonylethyl methyl sulfide
    • AKOS008902908
    • Methyl 3-(methylthio)propionate, 98%
    • AS-60592
    • 3-Methylsulfanyl-propionic acid methyl ester
    • CS-0128902
    • M0862
    • NS00015532
    • E75865
    • Methyl 3-(methylthio)propionate, >=98%, FG
    • EN300-6488059
    • Q27254289
    • InChI=1/C5H10O2S/c1-7-5(6)3-4-8-2/h3-4H2,1-2H3
    • 236-883-6
1 4

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%