cis-and trans-L-Mercapto-p-menthan-3-one

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  • Identifiers

    CAS number
    29725-66-4

    Molecular formula
    C10H18OS

    SMILES
    CC(C)C1CCC(CC1=O)(C)S

  • Odor profile

    Fragrance
    Mint 47.88%
    Herbal 45.96%
    Citrus 41.45%
    Grapefruit 41.05%
    Cooling 34.49%
    Spicy 34.35%
    Tropical 34.22%
    Sulfurous 33.7%
    Black currant 32.86%
    Fresh 30.43%

     

    Flavor
    Green 61.41%
    Minty 57.79%
    Fruity 46.69%
    Tropical 45.79%
    Berry 31.03%
    Sulfury 28.93%
    Herbal 27.04%
    Mint 25.59%
    Fresh 25.01%
    Sweet 24.35%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    6.66 (neutral)

    Molecular weight
    186.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    266°C

    Flash point

    • 94.9 ˚C est.

  • Synonyms

    • cis- and trans-L-Mercapto-p-menthan-3-one
    • 29725-66-4
    • Mercapto-p-menthan-3-one
    • SCHEMBL11450684
    • CHEBI:173522
    • DTXSID901019776
    • AKOS040768580
    • NS00123085
    • 2-isopropyl-5-methyl-5-sulfanyl-cyclohexanone
    • 5-methyl-2-propan-2-yl-5-sulanylcyclohexan-1-one
    • 5-methyl-2-(propan-2-yl)-5-sulfanylcyclohexan-1-one

  • Applications

    cis-and trans-L-Mercapto-p-menthan-3-one (CAS 29725-66-4) is a sulfur-containing menthane ketone used primarily as an odor-active ingredient and a synthetic building block in fragrance chemistry. In perfumery and cosmetics, it can serve as an aroma chemical and may act as a fixative or note modifier to contribute sulfurous and minty-menthane character. It may also be incorporated into household products, such as air fresheners and cleaners, to impart distinctive fragrance. In industrial manufacturing, it is commonly evaluated as an intermediate for the synthesis of sulfur-containing menthane derivatives and related aroma compounds. In research and development settings, it provides a chiral framework for exploring menthane-based structures and synthetic routes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 394.41
    methanol 530.88
    isopropanol 282.54
    water 3.0
    ethyl acetate 178.92
    n-propanol 252.87
    acetone 269.9
    n-butanol 248.77
    acetonitrile 267.46
    DMF 310.53
    toluene 153.76
    isobutanol 169.38
    1,4-dioxane 584.6
    methyl acetate 189.19
    THF 705.57
    2-butanone 206.12
    n-pentanol 160.45
    sec-butanol 188.99
    n-hexane 25.47
    ethylene glycol 68.73
    NMP 286.98
    cyclohexane 65.17
    DMSO 195.68
    n-butyl acetate 194.18
    n-octanol 146.49
    chloroform 780.93
    n-propyl acetate 130.58
    acetic acid 349.86
    dichloromethane 456.35
    cyclohexanone 361.12
    propylene glycol 119.63
    isopropyl acetate 128.33
    DMAc 206.58
    2-ethoxyethanol 186.53
    isopentanol 175.7
    n-heptane 30.65
    ethyl formate 174.27
    1,2-dichloroethane 200.32
    n-hexanol 266.57
    2-methoxyethanol 363.74
    isobutyl acetate 107.18
    tetrachloromethane 112.79
    n-pentyl acetate 129.05
    transcutol 664.1
    n-heptanol 127.78
    ethylbenzene 82.79
    MIBK 118.61
    2-propoxyethanol 334.87
    tert-butanol 273.1
    MTBE 159.27
    2-butoxyethanol 197.46
    propionic acid 178.57
    o-xylene 92.59
    formic acid 138.94
    diethyl ether 170.01
    m-xylene 106.21
    p-xylene 123.88
    chlorobenzene 220.47
    dimethyl carbonate 61.5
    n-octane 13.4
    formamide 143.07
    cyclopentanone 336.37
    2-pentanone 167.49
    anisole 154.16
    cyclopentyl methyl ether 206.72
    gamma-butyrolactone 355.95
    1-methoxy-2-propanol 256.7
    pyridine 363.3
    3-pentanone 110.49
    furfural 398.87
    n-dodecane 13.57
    diethylene glycol 249.3
    diisopropyl ether 58.83
    tert-amyl alcohol 175.84
    acetylacetone 194.88
    n-hexadecane 15.64
    acetophenone 145.86
    methyl propionate 121.52
    isopentyl acetate 185.86
    trichloroethylene 478.06
    n-nonanol 124.73
    cyclohexanol 226.44
    benzyl alcohol 159.33
    2-ethylhexanol 136.23
    isooctanol 97.75
    dipropyl ether 114.85
    1,2-dichlorobenzene 181.21
    ethyl lactate 85.83
    propylene carbonate 258.57
    n-methylformamide 177.06
    2-pentanol 136.41
    n-pentane 30.35
    1-propoxy-2-propanol 244.77
    1-methoxy-2-propyl acetate 200.97
    2-(2-methoxypropoxy) propanol 194.33
    mesitylene 70.27
    ε-caprolactone 307.65
    p-cymene 78.55
    epichlorohydrin 350.6
    1,1,1-trichloroethane 270.18
    2-aminoethanol 156.93
    morpholine-4-carbaldehyde 355.43
    sulfolane 277.3
    2,2,4-trimethylpentane 16.58
    2-methyltetrahydrofuran 389.01
    n-hexyl acetate 205.8
    isooctane 15.93
    2-(2-butoxyethoxy)ethanol 271.47
    sec-butyl acetate 98.7
    tert-butyl acetate 146.1
    decalin 28.05
    glycerin 159.82
    diglyme 399.85
    acrylic acid 159.52
    isopropyl myristate 85.01
    n-butyric acid 276.6
    acetyl acetate 149.6
    di(2-ethylhexyl) phthalate 98.52
    ethyl propionate 102.75
    nitromethane 343.66
    1,2-diethoxyethane 197.29
    benzonitrile 245.75
    trioctyl phosphate 71.62
    1-bromopropane 148.66
    gamma-valerolactone 497.68
    n-decanol 92.24
    triethyl phosphate 77.35
    4-methyl-2-pentanol 86.7
    propionitrile 190.42
    vinylene carbonate 258.05
    1,1,2-trichlorotrifluoroethane 281.3
    DMS 133.6
    cumene 62.39
    2-octanol 93.32
    2-hexanone 148.24
    octyl acetate 107.33
    limonene 101.59
    1,2-dimethoxyethane 309.3
    ethyl orthosilicate 78.57
    tributyl phosphate 84.2
    diacetone alcohol 171.55
    N,N-dimethylaniline 101.48
    acrylonitrile 206.32
    aniline 188.92
    1,3-propanediol 235.96
    bromobenzene 203.24
    dibromomethane 314.17
    1,1,2,2-tetrachloroethane 366.58
    2-methyl-cyclohexyl acetate 143.93
    tetrabutyl urea 96.46
    diisobutyl methanol 78.8
    2-phenylethanol 207.59
    styrene 97.73
    dioctyl adipate 120.9
    dimethyl sulfate 77.85
    ethyl butyrate 133.94
    methyl lactate 89.92
    butyl lactate 130.9
    diethyl carbonate 99.85
    propanediol butyl ether 212.83
    triethyl orthoformate 114.45
    p-tert-butyltoluene 77.05
    methyl 4-tert-butylbenzoate 147.45
    morpholine 567.82
    tert-butylamine 173.07
    n-dodecanol 71.18
    dimethoxymethane 197.61
    ethylene carbonate 204.3
    cyrene 173.85
    2-ethoxyethyl acetate 173.22
    2-ethylhexyl acetate 150.41
    1,2,4-trichlorobenzene 221.59
    4-methylpyridine 341.79
    dibutyl ether 109.65
    2,6-dimethyl-4-heptanol 78.8
    DEF 146.83
    dimethyl isosorbide 284.17
    tetrachloroethylene 242.76
    eugenol 157.64
    triacetin 180.34
    span 80 201.32
    1,4-butanediol 88.21
    1,1-dichloroethane 280.46
    2-methyl-1-pentanol 130.28
    methyl formate 150.39
    2-methyl-1-butanol 150.56
    n-decane 22.49
    butyronitrile 244.83
    3,7-dimethyl-1-octanol 122.28
    1-chlorooctane 75.46
    1-chlorotetradecane 34.3
    n-nonane 20.45
    undecane 16.94
    tert-butylcyclohexane 25.13
    cyclooctane 20.74
    cyclopentanol 231.85
    tetrahydropyran 469.46
    tert-amyl methyl ether 109.36
    2,5,8-trioxanonane 278.0
    1-hexene 83.04
    2-isopropoxyethanol 137.22
    2,2,2-trifluoroethanol 121.11
    methyl butyrate 138.44

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction