10-Mercaptopinane

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  • Identifiers

    CAS number
    6588-78-9

    Molecular formula
    C10H18S

    SMILES
    CC1(C2CCC(C1C2)CS)C

  • Odor profile

    Fragrance
    Sulfurous 84.89%
    Green 80.76%
    Tropical 80.25%
    Fruity 78.95%
    Onion 45.44%
    Grapefruit 43.98%
    Black currant 42.32%
    Vegetable 41.88%
    Alliaceous 41.33%
    Meaty 38.15%

     

    Flavor
    Sweet 48.54%
    Woody 47.34%
    Herbal 33.77%
    Pine 30.43%
    Herb 28.56%
    Earthy 27.92%
    Spicy 27.56%
    Wood 25.95%
    Green 25.78%
    Tropical 25.24%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    9.53 (weak base)

    Molecular weight
    170.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    241°C

    Flash point

    • 67.5 ˚C est.

  • Synonyms

    • 10-Mercaptopinane
    • 6588-78-9
    • 10-Pinanethiol
    • UNII-79T12O1XFD
    • 79T12O1XFD
    • 6,6-dimethylbicyclo[3.1.1]heptane-2-methanethiol
    • Bicyclo[3.1.1]heptane-2-methanethiol, 6,6-dimethyl-
    • EINECS 229-520-8
    • 6,6-Dimethylbicyclo(3.1.1)heptane-2-methanethiol
    • Bicyclo(3.1.1)heptane-2-methanethiol, 6,6-dimethyl-
    • DTXSID80884320
    • (+/-)-10-MERCAPTOPINANE
    • FEMA NO. 3503, 10-MERCAPTO-
    • (6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methanethiol
    • {6,6-DIMETHYLBICYCLO[3.1.1]HEPTAN-2-YL}METHANETHIOL
    • pinane-10-thiol
    • SCHEMBL4234069
    • DTXCID601023770
    • 10-MERCAPTOPINANE, (+/-)
    • 10-MERCAPTOPINANE, (+/-)-
    • NS00046947
    • EN300-1810135
    • Q27266773
    • (6,6-Dimethylbicyclo[3.1.1]hept-2-yl)methanethiol #

  • Applications

    10-Mercaptopinane (CAS 6588-78-9) is typically considered a fragrance-related raw material and/or odorant with a sulfur-containing character, potentially contributing distinctive notes and aroma retention in perfumery and personal care formulations. It may serve as an intermediate in the synthesis of organosulfur compounds and can be evaluated for use in specialty chemicals and pharmaceutical-related syntheses. In polymer and plastics applications, it can participate in thiol-ene chemistry or crosslinking to form networks used in coatings, paints, and adhesives. It may also be considered as an intermediate for industrial manufacturing and as a fragrance/odorant component in household products, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 345.49
    methanol 278.63
    isopropanol 341.2
    water 1.9
    ethyl acetate 366.16
    n-propanol 324.21
    acetone 498.35
    n-butanol 318.59
    acetonitrile 331.28
    DMF 325.13
    toluene 260.07
    isobutanol 241.79
    1,4-dioxane 803.22
    methyl acetate 364.06
    THF 1124.02
    2-butanone 380.19
    n-pentanol 178.32
    sec-butanol 225.87
    n-hexane 61.26
    ethylene glycol 77.61
    NMP 203.34
    cyclohexane 106.75
    DMSO 288.16
    n-butyl acetate 352.41
    n-octanol 161.91
    chloroform 637.14
    n-propyl acetate 215.06
    acetic acid 168.67
    dichloromethane 502.1
    cyclohexanone 424.92
    propylene glycol 106.22
    isopropyl acetate 269.17
    DMAc 213.6
    2-ethoxyethanol 273.57
    isopentanol 262.66
    n-heptane 79.16
    ethyl formate 206.32
    1,2-dichloroethane 380.08
    n-hexanol 359.87
    2-methoxyethanol 438.48
    isobutyl acetate 178.76
    tetrachloromethane 196.78
    n-pentyl acetate 186.93
    transcutol 740.89
    n-heptanol 182.41
    ethylbenzene 120.47
    MIBK 242.76
    2-propoxyethanol 511.86
    tert-butanol 356.44
    MTBE 390.47
    2-butoxyethanol 287.08
    propionic acid 172.14
    o-xylene 151.53
    formic acid 54.55
    diethyl ether 466.43
    m-xylene 200.65
    p-xylene 156.4
    chlorobenzene 246.82
    dimethyl carbonate 142.34
    n-octane 37.27
    formamide 96.79
    cyclopentanone 559.65
    2-pentanone 342.95
    anisole 223.53
    cyclopentyl methyl ether 420.58
    gamma-butyrolactone 495.14
    1-methoxy-2-propanol 400.59
    pyridine 397.6
    3-pentanone 255.98
    furfural 337.58
    n-dodecane 26.54
    diethylene glycol 347.14
    diisopropyl ether 179.24
    tert-amyl alcohol 222.13
    acetylacetone 369.25
    n-hexadecane 30.0
    acetophenone 175.72
    methyl propionate 277.22
    isopentyl acetate 301.43
    trichloroethylene 538.28
    n-nonanol 139.26
    cyclohexanol 246.59
    benzyl alcohol 151.96
    2-ethylhexanol 193.02
    isooctanol 144.16
    dipropyl ether 304.05
    1,2-dichlorobenzene 210.46
    ethyl lactate 114.52
    propylene carbonate 254.59
    n-methylformamide 193.93
    2-pentanol 225.77
    n-pentane 82.53
    1-propoxy-2-propanol 379.87
    1-methoxy-2-propyl acetate 341.77
    2-(2-methoxypropoxy) propanol 195.31
    mesitylene 144.39
    ε-caprolactone 346.08
    p-cymene 108.12
    epichlorohydrin 535.17
    1,1,1-trichloroethane 395.58
    2-aminoethanol 146.46
    morpholine-4-carbaldehyde 355.01
    sulfolane 381.02
    2,2,4-trimethylpentane 35.37
    2-methyltetrahydrofuran 570.4
    n-hexyl acetate 243.31
    isooctane 44.4
    2-(2-butoxyethoxy)ethanol 293.78
    sec-butyl acetate 166.96
    tert-butyl acetate 294.2
    decalin 45.18
    glycerin 146.45
    diglyme 513.59
    acrylic acid 128.21
    isopropyl myristate 115.75
    n-butyric acid 274.84
    acetyl acetate 224.09
    di(2-ethylhexyl) phthalate 89.24
    ethyl propionate 189.2
    nitromethane 311.74
    1,2-diethoxyethane 363.01
    benzonitrile 195.93
    trioctyl phosphate 82.27
    1-bromopropane 300.32
    gamma-valerolactone 559.39
    n-decanol 109.05
    triethyl phosphate 103.5
    4-methyl-2-pentanol 167.97
    propionitrile 300.9
    vinylene carbonate 241.9
    1,1,2-trichlorotrifluoroethane 268.16
    DMS 194.74
    cumene 94.24
    2-octanol 122.29
    2-hexanone 216.35
    octyl acetate 130.92
    limonene 139.44
    1,2-dimethoxyethane 458.76
    ethyl orthosilicate 107.97
    tributyl phosphate 92.0
    diacetone alcohol 273.52
    N,N-dimethylaniline 134.61
    acrylonitrile 278.1
    aniline 228.17
    1,3-propanediol 247.16
    bromobenzene 271.19
    dibromomethane 394.47
    1,1,2,2-tetrachloroethane 404.56
    2-methyl-cyclohexyl acetate 165.83
    tetrabutyl urea 100.3
    diisobutyl methanol 140.4
    2-phenylethanol 235.74
    styrene 138.21
    dioctyl adipate 118.64
    dimethyl sulfate 151.16
    ethyl butyrate 221.4
    methyl lactate 141.86
    butyl lactate 144.44
    diethyl carbonate 144.27
    propanediol butyl ether 211.25
    triethyl orthoformate 169.5
    p-tert-butyltoluene 116.91
    methyl 4-tert-butylbenzoate 171.73
    morpholine 656.05
    tert-butylamine 260.5
    n-dodecanol 87.85
    dimethoxymethane 423.12
    ethylene carbonate 234.74
    cyrene 147.54
    2-ethoxyethyl acetate 263.66
    2-ethylhexyl acetate 238.02
    1,2,4-trichlorobenzene 230.91
    4-methylpyridine 348.24
    dibutyl ether 195.39
    2,6-dimethyl-4-heptanol 140.4
    DEF 221.04
    dimethyl isosorbide 288.58
    tetrachloroethylene 321.69
    eugenol 166.21
    triacetin 194.91
    span 80 174.65
    1,4-butanediol 97.33
    1,1-dichloroethane 417.25
    2-methyl-1-pentanol 140.43
    methyl formate 175.05
    2-methyl-1-butanol 206.06
    n-decane 44.19
    butyronitrile 306.91
    3,7-dimethyl-1-octanol 147.6
    1-chlorooctane 116.84
    1-chlorotetradecane 54.39
    n-nonane 45.59
    undecane 33.31
    tert-butylcyclohexane 44.74
    cyclooctane 51.18
    cyclopentanol 275.49
    tetrahydropyran 682.84
    tert-amyl methyl ether 212.63
    2,5,8-trioxanonane 305.07
    1-hexene 146.45
    2-isopropoxyethanol 221.54
    2,2,2-trifluoroethanol 96.05
    methyl butyrate 216.35

    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