S-Isopropyl 3-methylbut-2-enethioate

  • Identifiers

    CAS number
    34365-79-2

    Molecular formula
    C8H14OS

    SMILES
    CC(C)SC(=O)C=C(C)C

  • Odor profile

    sulfurous 86.2%
    green 80.91%
    tropical 74.42%
    vegetable 62.76%
    fruity 53.26%
    meaty 52.37%
    herbal 51.2%
    onion 50.7%
    alliaceous 43.47%
    spicy 40.25%

    Scent© AI

  • Properties

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

    Molecular weight
    158.26 g/mol

    Boiling points

    • 236.00 °C. @ 760.00 mm Hg

    Solubilities

    • very slightly
    • Practically insoluble to insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 34365-79-2
    • S-Isopropyl 3-methylbut-2-enethioate
    • S-Isopropyl 3-methylthiocrotonate
    • s-isopropyl thiosenecioate
    • S-propan-2-yl 3-methylbut-2-enethioate
    • 2-Butenethioic acid, 3-methyl-, S-(1-methylethyl) ester
    • NZT1CT5W8U
    • S-1-Methylethyl 3-methylbut-2-enethioate
    • EINECS 251-966-7
    • DTXSID1067837
    • FEMA NO. 4260
    • Crotonic acid, 3-methylthio-, S-isopropyl ester
    • S-ISOPROPYL 3-METHYL-2-BUTENETHIOATE
    • 3-methyl-1-(propan-2-ylsulfanyl)but-2-en-1-one
    • S-ISOPROPYL 3-METHYLBUT-2-ENETHIOATE [FHFI]
    • UNII-NZT1CT5W8U
    • ISOPROPYL 3-METHYLTHIO-2-BUTENOATE
    • isopropyl 3-methyl thiocrotonate
    • SCHEMBL3505568
    • DTXCID6038829
    • CHEBI:230802
    • IZVXTRDVESJRTA-UHFFFAOYSA-N
    • AKOS006288005
    • DB-221872
    • NS00012762
    • Q27285131
    • 251-966-7
1 4

Botanical

Name CAS Botanical Proportion
Galbanum 4 9000-24-2 Ferula galbaniflua Boiss. et Buhse, fam. Apiaceae (Umbelliferae) 0.01%