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

  • Identifiers

    CAS mumber
    57074-34-7

    Molecular formula
    C12H20O2S

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

    Retention indicies (RI)

    • Carbowax: 2168.0

  • Properties

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

    Molecular weight
    228.35 g/mol

  • Synonyms

    • 57074-34-7
    • Menthone-8-thioacetate, trans-
    • 1HQV1B71RE
    • UNII-B163AE9AB3
    • B163AE9AB3
    • Menthone-8-thioacetate, (1R,4R)-
    • 8-Acetylthio-p-menthanone-3
    • 166022-17-9
    • EINECS 260-546-2
    • Ethanethioic acid, S-(1-methyl-1-(4-methyl-2-oxocyclohexyl)ethyl) ester, trans-
    • Ethanethioic acid, S-(1-methyl-1-((1R,4R)-4-methyl-2-oxocyclohexyl)ethyl) ester, rel-
    • Ethanethioic acid, S-(1-methyl-1-((1R,4R)-4-methyl-2-oxocyclohexyl)ethyl) ester
    • Ethanethioic acid, S-(1-methyl-1-(4-methyl-2-oxocyclohexyl)ethyl) ester, trans-(+-)-
    • S-(1-Methyl-1-(4-methyl-2-oxocyclohexyl)ethyl) (1Rtrans)ethanethioate
    • ETHANETHIOIC ACID, S-(1-METHYL-1-(4-METHYL-2-OXOCYCLOHEXYL)ETHYL) ESTER, (1R-TRANS)-
    • Ethanethioic acid, S-(1-methyl-1-(4-methyl-2-oxocyclohexyl)ethyl) ester, (1theta-trans)-
    • Ethanethioic acid, S-[1-methyl-1-[(1R,4R)-4-methyl-2-oxocyclohexyl]ethyl] ester
    • S-(1-METHYL-1-((1R,4R)-4-METHYL-2-OXO-CYCLOHEXYL)ETHYL) ETHANETHIOATE
    • S-(1-METHYL-1-((1R,4R)-4-METHYL-2-OXO-CYCLOHEXYL)ETHYL) ETHANETHIOATE, (1R-E)-
    • S-(1-Methyl-1-((1R,4R)-4-methyl-2-oxocyclohexyl)ethyl) ethanethioate
    • S-[1-methyl-1-(4-methyl-2-oxocyclohexyl)ethyl] (1Rtrans)ethanethioate
    • S-[1-Methyl-1-[(1R,4R)-4-methyl-2-oxocyclohexyl]ethyl] ethanethioate
    • Ethanethioic acid, S-[1-methyl-1-(4-methyl-2-oxocyclohexyl)ethyl] ester, (1R-trans)-
    • Ethanethioic acid, S-[1-methyl-1-[(1R,4R)-4-methyl-2-oxocyclohexyl]ethyl] ester, rel-
    • UNII-1HQV1B71RE
    • trans-Menthone-8-thioacetate
    • S-(2-((1R,4R)-4-Methyl-2-oxocyclohexyl)propan-2-yl) ethanethioate
    • DTXSID70168065
    • Ethanethioic acid, S-[1-methyl-1-(4-methyl-2-oxocyclohexyl)ethyl] ester, trans- (.+/-.)-
    • Ethanethioic acid, S-1-methyl-1-(1R,4R)-4-methyl-2-oxocyclohexylethyl ester
    • ETHANETHIOIC ACID, S-(1-METHYL-1-(4-METHYL-2-OXOCYCLOHEXYL)ETHYL) ESTER, TRANS-(+/-)-
1 3

Botanical

Name CAS Botanical Proportion
Buchu leaf (South Africa) 1b (species) 84649-93-4 Agathosma crenulata Pillans, fam. Rutaceae 6.83%
Buchu leaf (South Africa) 1c (hybrid) 84649-93-4 Agathosma betulina x crenulata, fam. Rutaceae 1.11%
Buchu leaf (South Africa) 2 84649-93-4 Agathosma betulina (Berg.) Pillans (Barosma betulina Bertl.), fam. Rutacea 0.06%