cis-8-(Acetylthio)-p-3-menthanone

  • Identifiers

    CAS mumber
    57129-12-1

    Molecular formula
    C12H20O2S

    SMILES
    C[C@H]1CC[C@H](C(=O)C1)C(C)(C)SC(=O)C

    Retention indicies (RI)

    • Carbowax: 2206.0

  • Properties

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

    Molecular weight
    228.35 g/mol

  • Synonyms

    • Menthone-8-thioacetate, cis-
    • 3QMX06VZ0C
    • Menthone-8-thioacetate, (1R,4S)-
    • UNII-C5YD55048E
    • 57129-12-1
    • C5YD55048E
    • EINECS 260-576-6
    • 166022-16-8
    • Ethanethioic acid, S-(1-methyl-1-((1R,4S)-4-methyl-2-oxocyclohexyl)ethyl) ester
    • Ethanethioic acid, S-(1-methyl-1-(4-methyl-2-oxocyclohexyl)ethyl) ester, cis-
    • Ethanethioic acid, S-(1-methyl-1-((1R,4S)-4-methyl-2-oxocyclohexyl)ethyl) ester, rel-
    • MENTHONE-8-THIOACETATE, (-)-CIS-
    • (-)-CIS-8-ACETYLTHIO-P-MENTHAN-3-ONE
    • Ethanethioic acid, S-(1-methyl-1-(4-methyl-2-oxocyclohexyl)ethyl) ester, cis-(+-)-
    • ETHANETHIOIC ACID, S-(1-METHYL-1-(4-METHYL-2-OXOCYCLOHEXYL)ETHYL) ESTER, (1R-CIS)-
    • Ethanethioic acid, S-(1-methyl-1-(4-methyl-2-oxocyclohexyl)ethyl) ester, (1theta-cis)-
    • Ethanethioic acid, S-[1-methyl-1-(4-methyl-2-oxocyclohexyl)ethyl] ester, (1R-cis)-
    • Ethanethioic acid, S-[1-methyl-1-[(1R,4S)-4-methyl-2-oxocyclohexyl]ethyl] ester
    • S-(1-METHYL-1-((1R,4S)-4-METHYL-2-OXO-CYCLOHEXYL)ETHYL) ETHANETHIOATE
    • UNII-3QMX06VZ0C
    • cis-Menthone-8-thioacetate
    • (R)-Menthone 8-thioacetate
    • DTXSID10168064
    • AMXPURQVAMENCC-WCBMZHEXSA-N
    • S-(1-Methyl-1-(4-methyl-2-oxocyclohexyl)ethyl) (1R-cis)-ethanethioate
    • ETHANETHIOIC ACID, S-(1-METHYL-1-(4-METHYL-2-OXOCYCLOHEXYL)ETHYL) ESTER, CIS-(+/-)-
1 3

Botanical

Name CAS Botanical Proportion
Buchu leaf (South Africa) 1b (species) 84649-93-4 Agathosma crenulata Pillans, fam. Rutaceae 0.37%
Buchu leaf (South Africa) 1c (hybrid) 84649-93-4 Agathosma betulina x crenulata, fam. Rutaceae 1.44%
Buchu leaf (South Africa) 2 84649-93-4 Agathosma betulina (Berg.) Pillans (Barosma betulina Bertl.), fam. Rutacea 0.05%