(S)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanethiol

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  • Identifiers

    CAS number
    83150-77-0

    Molecular formula
    C10H18S

    SMILES
    CC1=CC[C@H](CC1)C(C)(C)S

  • Odor profile

    Fragrance
    Sulfurous 85.78%
    Tropical 75.0%
    Grapefruit 56.4%
    Woody 54.06%
    Citrus 49.33%
    Onion 49.14%
    Meaty 48.53%
    Green 46.13%
    Fruity 43.84%
    Black currant 41.42%

     

    Flavor
    Woody 60.27%
    Sulfury 33.08%
    Wood 32.85%
    Green 30.48%
    Sulfurous 29.1%
    Tropical 28.66%
    Minty 27.22%
    Spice 25.6%
    Earthy 24.37%
    Herb 23.92%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    8.77 (weak base)

    Molecular weight
    170.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    224°C

    Flash point

    • 73.8 ˚C est.

  • Synonyms

    • 83150-77-0
    • (S)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanethiol
    • EINECS 280-196-4
    • AG4LK9J2NG
    • SCHEMBL10968270
    • (-)-(S)-p-Menthen-8-thiol
    • ZQPCOAKGRYBBMR-SECBINFHSA-N
    • DTXSID501234493
    • NS00090027
    • (S)-2-(4-Methylcyclohex-3-en-1-yl)propane-2-thiol
    • 2-[(1S)-4-methylcyclohex-3-en-1-yl]propane-2-thiol
    • (1S)-alpha,alpha,4-Trimethyl-3-cyclohexene-1-methanethiol
    • (1S)-I+/-,I+/-,4-Trimethyl-3-cyclohexene-1-methanethiol
    • alpha,alpha,4-Trimethyl-3-cyclohexene-1-methanethiol, (1S)-
    • 3-Cyclohexene-1-methanethiol, alpha,alpha,4-trimethyl-, (1S)-

  • Applications

    The compound (S)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanethiol (CAS 83150-77-0) is primarily used as a fragrance ingredient and odorant in perfumery, and in cosmetics/personal care as a scent component; it may be employed in household products such as air fresheners and cleaners to impart a lasting aroma; in industrial manufacturing it can serve as a chemical intermediate for synthesis and as a specialty odorant additive in coatings, paints, inks, and adhesives to provide scent cues; usage is typically governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 232.19
    methanol 135.76
    isopropanol 179.93
    water 0.22
    ethyl acetate 265.26
    n-propanol 182.06
    acetone 219.65
    n-butanol 222.72
    acetonitrile 140.94
    DMF 146.54
    toluene 269.59
    isobutanol 118.11
    1,4-dioxane 711.99
    methyl acetate 174.97
    THF 886.34
    2-butanone 235.02
    n-pentanol 132.83
    sec-butanol 157.28
    n-hexane 61.03
    ethylene glycol 18.5
    NMP 162.15
    cyclohexane 156.2
    DMSO 116.11
    n-butyl acetate 353.02
    n-octanol 185.66
    chloroform 459.26
    n-propyl acetate 143.96
    acetic acid 92.12
    dichloromethane 325.52
    cyclohexanone 322.03
    propylene glycol 44.34
    isopropyl acetate 202.5
    DMAc 169.23
    2-ethoxyethanol 160.76
    isopentanol 170.32
    n-heptane 141.38
    ethyl formate 106.76
    1,2-dichloroethane 178.07
    n-hexanol 358.6
    2-methoxyethanol 247.74
    isobutyl acetate 124.92
    tetrachloromethane 101.88
    n-pentyl acetate 172.59
    transcutol 838.04
    n-heptanol 176.53
    ethylbenzene 111.61
    MIBK 168.76
    2-propoxyethanol 394.72
    tert-butanol 214.37
    MTBE 300.49
    2-butoxyethanol 220.62
    propionic acid 72.32
    o-xylene 136.35
    formic acid 21.59
    diethyl ether 377.52
    m-xylene 171.13
    p-xylene 140.77
    chlorobenzene 200.05
    dimethyl carbonate 61.31
    n-octane 44.74
    formamide 38.22
    cyclopentanone 290.78
    2-pentanone 238.35
    anisole 215.34
    cyclopentyl methyl ether 373.13
    gamma-butyrolactone 222.26
    1-methoxy-2-propanol 239.31
    pyridine 353.99
    3-pentanone 170.24
    furfural 212.31
    n-dodecane 35.53
    diethylene glycol 151.8
    diisopropyl ether 149.16
    tert-amyl alcohol 164.41
    acetylacetone 219.03
    n-hexadecane 40.44
    acetophenone 154.27
    methyl propionate 156.6
    isopentyl acetate 282.35
    trichloroethylene 312.06
    n-nonanol 178.33
    cyclohexanol 209.02
    benzyl alcohol 120.83
    2-ethylhexanol 239.58
    isooctanol 130.54
    dipropyl ether 366.46
    1,2-dichlorobenzene 159.52
    ethyl lactate 59.92
    propylene carbonate 158.73
    n-methylformamide 64.88
    2-pentanol 156.73
    n-pentane 80.83
    1-propoxy-2-propanol 336.04
    1-methoxy-2-propyl acetate 335.41
    2-(2-methoxypropoxy) propanol 257.91
    mesitylene 112.73
    ε-caprolactone 275.31
    p-cymene 135.92
    epichlorohydrin 300.14
    1,1,1-trichloroethane 230.1
    2-aminoethanol 58.06
    morpholine-4-carbaldehyde 306.15
    sulfolane 180.56
    2,2,4-trimethylpentane 35.96
    2-methyltetrahydrofuran 558.78
    n-hexyl acetate 282.59
    isooctane 36.76
    2-(2-butoxyethoxy)ethanol 329.05
    sec-butyl acetate 129.18
    tert-butyl acetate 231.42
    decalin 54.11
    glycerin 54.9
    diglyme 540.11
    acrylic acid 48.65
    isopropyl myristate 139.94
    n-butyric acid 163.18
    acetyl acetate 169.65
    di(2-ethylhexyl) phthalate 117.91
    ethyl propionate 134.9
    nitromethane 115.86
    1,2-diethoxyethane 430.6
    benzonitrile 168.09
    trioctyl phosphate 84.22
    1-bromopropane 219.0
    gamma-valerolactone 380.99
    n-decanol 136.43
    triethyl phosphate 98.69
    4-methyl-2-pentanol 112.27
    propionitrile 138.42
    vinylene carbonate 136.89
    1,1,2-trichlorotrifluoroethane 152.44
    DMS 151.83
    cumene 76.73
    2-octanol 116.24
    2-hexanone 167.41
    octyl acetate 170.8
    limonene 197.22
    1,2-dimethoxyethane 349.45
    ethyl orthosilicate 109.94
    tributyl phosphate 99.02
    diacetone alcohol 187.79
    N,N-dimethylaniline 131.35
    acrylonitrile 104.97
    aniline 195.59
    1,3-propanediol 110.5
    bromobenzene 231.41
    dibromomethane 260.81
    1,1,2,2-tetrachloroethane 272.35
    2-methyl-cyclohexyl acetate 204.98
    tetrabutyl urea 121.23
    diisobutyl methanol 137.54
    2-phenylethanol 221.07
    styrene 138.96
    dioctyl adipate 163.83
    dimethyl sulfate 58.99
    ethyl butyrate 221.8
    methyl lactate 66.63
    butyl lactate 117.52
    diethyl carbonate 136.22
    propanediol butyl ether 175.14
    triethyl orthoformate 194.41
    p-tert-butyltoluene 143.82
    methyl 4-tert-butylbenzoate 175.93
    morpholine 666.56
    tert-butylamine 175.05
    n-dodecanol 107.52
    dimethoxymethane 238.48
    ethylene carbonate 128.17
    cyrene 144.2
    2-ethoxyethyl acetate 243.2
    2-ethylhexyl acetate 264.57
    1,2,4-trichlorobenzene 185.86
    4-methylpyridine 328.22
    dibutyl ether 243.49
    2,6-dimethyl-4-heptanol 137.54
    DEF 194.33
    dimethyl isosorbide 393.49
    tetrachloroethylene 166.58
    eugenol 156.91
    triacetin 208.49
    span 80 236.87
    1,4-butanediol 37.24
    1,1-dichloroethane 216.64
    2-methyl-1-pentanol 117.33
    methyl formate 47.56
    2-methyl-1-butanol 141.7
    n-decane 58.12
    butyronitrile 195.59
    3,7-dimethyl-1-octanol 175.94
    1-chlorooctane 132.18
    1-chlorotetradecane 67.99
    n-nonane 57.02
    undecane 44.16
    tert-butylcyclohexane 49.73
    cyclooctane 69.46
    cyclopentanol 168.85
    tetrahydropyran 697.51
    tert-amyl methyl ether 218.34
    2,5,8-trioxanonane 384.38
    1-hexene 135.39
    2-isopropoxyethanol 136.65
    2,2,2-trifluoroethanol 27.19
    methyl butyrate 144.84

    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