2-Mercaptopinane

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  • Identifiers

    CAS number
    23832-18-0

    Molecular formula
    C10H18S

    SMILES
    CC1(C2CCC(C1C2)(C)S)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 81.3%
    Fruity 80.04%
    Tropical 79.42%
    Green 79.16%
    Woody 55.59%
    Black currant 46.57%
    Grapefruit 43.68%
    Berry 42.72%
    Mint 42.52%
    Fresh 41.07%

     

    Flavor
    Sweet 60.48%
    Woody 60.14%
    Green 42.98%
    Pine 39.76%
    Earthy 36.97%
    Camphor 35.44%
    Minty 35.22%
    Dry 33.11%
    Herbal 32.83%
    Wood 28.88%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    8.8 (weak base)

    Molecular weight
    170.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    224°C

    Flash point

    • 57.7 ˚C est.

    Solubility expt.

    • insoluble in water; soluble in alcohol and oils

  • Synonyms

    • 2-Mercaptopinane
    • 2-Pinanethiol
    • 23832-18-0
    • Pinanyl mercaptan
    • Pinane, 2-mercapto-
    • 2,6,6-trimethylbicyclo[3.1.1]heptane-2-thiol
    • 2,3 or 10-Mercaptopinane
    • mango thiol
    • 2,6,6-Trimethylbicyclo(3.1.1)heptane-2-thiol
    • EINECS 245-900-6
    • NSC 76099
    • 2-Pinanethiol (6CI,8CI)
    • BRN 4952941
    • Bicyclo(3.1.1)heptane-2-thiol, 2,6,6-trimethyl-
    • Bicyclo[3.1.1]heptane-2-thiol, 2,6,6-trimethyl-
    • AI3-51347
    • X21X7U473C
    • NSC-76099
    • DTXSID60865117
    • (+/-)-2-MERCAPTOPINANE
    • 2-MERCAPTOPINANE, (+/-)-
    • FEMA NO. 3503, 2-MERCAPTO-
    • 2,6,6-Trimethyl-Bicyclo[3.1.1]heptane-2-thiol
    • FEMA No. 3503
    • 2,6,6-Trimethyl-Bicyclo(3.1.1)heptane-2-thiol
    • Pinanethiol
    • cis-pinanethiol
    • UNII-X21X7U473C
    • 2-Mercapto-Pinane
    • NSC76099
    • (+/-)-PINANETHIOL
    • 2-,3-,10-Mercaptopinane
    • 2TNH31BJ96
    • SCHEMBL3504556
    • PINANETHIOL, (+/-)-
    • DTXCID30813564
    • ZPUCQOXKFCVYGL-UHFFFAOYSA-N
    • 2, 3, OR 10-MERCAPTOPINANE
    • WLN: L46 A EUTJ A1 A1 CSH E1
    • DB-239556
    • NS00050359
    • 2, 3, OR 10-MERCAPTOPINANE [FHFI]
    • Bicyclo[3.1.1]heptane-2-thiol,6,6-trimethyl-
    • Bicyclo3.1.1heptane-2-thiol, 2,6,6-trimethyl-
    • Q27293352
    • 245-900-6

  • Applications

    2-Mercaptopinane (CAS 23832-18-0) is commonly used as an odorant in fragrance and cosmetics, serving as a sulfur-containing scent component and sometimes as a fragrance fixative in formulation. It also functions as an organic synthesis intermediate, particularly for sulfur-containing derivatives used in industrial manufacturing. In cosmetics and personal care, it may be employed as a fragrance ingredient in products such as perfumes, shampoos, and lotions. It can serve as a precursor or building block in polymer-related chemistry, enabling downstream thiol-functionalization for specialty polymers and adhesives. In household and cleaning products, it may be evaluated to tune fragrance or odor-masking properties, subject to local regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 251.68
    methanol 228.58
    isopropanol 194.07
    water 2.1
    ethyl acetate 272.2
    n-propanol 218.42
    acetone 289.94
    n-butanol 215.07
    acetonitrile 233.65
    DMF 221.97
    toluene 222.02
    isobutanol 156.8
    1,4-dioxane 505.01
    methyl acetate 247.69
    THF 822.03
    2-butanone 245.73
    n-pentanol 125.18
    sec-butanol 158.98
    n-hexane 53.63
    ethylene glycol 58.86
    NMP 221.67
    cyclohexane 95.2
    DMSO 161.47
    n-butyl acetate 283.0
    n-octanol 133.65
    chloroform 481.95
    n-propyl acetate 156.25
    acetic acid 164.33
    dichloromethane 359.4
    cyclohexanone 322.86
    propylene glycol 80.32
    isopropyl acetate 208.63
    DMAc 179.77
    2-ethoxyethanol 176.21
    isopentanol 173.83
    n-heptane 78.74
    ethyl formate 149.43
    1,2-dichloroethane 230.09
    n-hexanol 305.55
    2-methoxyethanol 295.42
    isobutyl acetate 136.0
    tetrachloromethane 134.46
    n-pentyl acetate 162.54
    transcutol 541.49
    n-heptanol 150.31
    ethylbenzene 93.17
    MIBK 189.45
    2-propoxyethanol 399.62
    tert-butanol 215.45
    MTBE 270.98
    2-butoxyethanol 223.48
    propionic acid 140.95
    o-xylene 125.65
    formic acid 66.38
    diethyl ether 329.37
    m-xylene 174.54
    p-xylene 118.84
    chlorobenzene 209.93
    dimethyl carbonate 116.12
    n-octane 29.77
    formamide 92.33
    cyclopentanone 397.62
    2-pentanone 243.1
    anisole 170.84
    cyclopentyl methyl ether 353.15
    gamma-butyrolactone 386.92
    1-methoxy-2-propanol 264.97
    pyridine 285.63
    3-pentanone 193.92
    furfural 277.28
    n-dodecane 21.06
    diethylene glycol 260.16
    diisopropyl ether 152.01
    tert-amyl alcohol 169.1
    acetylacetone 258.46
    n-hexadecane 24.01
    acetophenone 135.28
    methyl propionate 205.5
    isopentyl acetate 253.39
    trichloroethylene 374.54
    n-nonanol 122.2
    cyclohexanol 187.15
    benzyl alcohol 112.22
    2-ethylhexanol 172.76
    isooctanol 115.44
    dipropyl ether 261.45
    1,2-dichlorobenzene 181.96
    ethyl lactate 88.53
    propylene carbonate 217.21
    n-methylformamide 150.2
    2-pentanol 157.29
    n-pentane 71.11
    1-propoxy-2-propanol 303.28
    1-methoxy-2-propyl acetate 316.26
    2-(2-methoxypropoxy) propanol 171.97
    mesitylene 116.79
    ε-caprolactone 285.1
    p-cymene 100.93
    epichlorohydrin 363.2
    1,1,1-trichloroethane 279.2
    2-aminoethanol 111.45
    morpholine-4-carbaldehyde 285.26
    sulfolane 268.51
    2,2,4-trimethylpentane 34.64
    2-methyltetrahydrofuran 438.3
    n-hexyl acetate 216.94
    isooctane 37.23
    2-(2-butoxyethoxy)ethanol 233.9
    sec-butyl acetate 131.41
    tert-butyl acetate 236.07
    decalin 41.41
    glycerin 106.04
    diglyme 389.94
    acrylic acid 112.17
    isopropyl myristate 106.02
    n-butyric acid 210.6
    acetyl acetate 203.12
    di(2-ethylhexyl) phthalate 87.81
    ethyl propionate 148.46
    nitromethane 241.36
    1,2-diethoxyethane 281.69
    benzonitrile 157.66
    trioctyl phosphate 76.54
    1-bromopropane 203.83
    gamma-valerolactone 425.07
    n-decanol 91.69
    triethyl phosphate 97.06
    4-methyl-2-pentanol 120.28
    propionitrile 197.81
    vinylene carbonate 208.09
    1,1,2-trichlorotrifluoroethane 199.56
    DMS 167.73
    cumene 73.89
    2-octanol 96.1
    2-hexanone 155.88
    octyl acetate 122.85
    limonene 133.45
    1,2-dimethoxyethane 273.37
    ethyl orthosilicate 101.89
    tributyl phosphate 85.22
    diacetone alcohol 197.58
    N,N-dimethylaniline 111.51
    acrylonitrile 187.56
    aniline 184.92
    1,3-propanediol 167.12
    bromobenzene 221.67
    dibromomethane 275.01
    1,1,2,2-tetrachloroethane 283.46
    2-methyl-cyclohexyl acetate 160.69
    tetrabutyl urea 94.92
    diisobutyl methanol 114.46
    2-phenylethanol 191.59
    styrene 104.53
    dioctyl adipate 112.52
    dimethyl sulfate 118.42
    ethyl butyrate 188.56
    methyl lactate 114.23
    butyl lactate 124.26
    diethyl carbonate 128.8
    propanediol butyl ether 165.04
    triethyl orthoformate 153.83
    p-tert-butyltoluene 113.32
    methyl 4-tert-butylbenzoate 164.31
    morpholine 451.93
    tert-butylamine 169.42
    n-dodecanol 72.34
    dimethoxymethane 314.57
    ethylene carbonate 196.1
    cyrene 139.04
    2-ethoxyethyl acetate 233.03
    2-ethylhexyl acetate 209.2
    1,2,4-trichlorobenzene 203.27
    4-methylpyridine 265.03
    dibutyl ether 159.51
    2,6-dimethyl-4-heptanol 114.46
    DEF 192.35
    dimethyl isosorbide 286.45
    tetrachloroethylene 216.74
    eugenol 145.84
    triacetin 173.43
    span 80 158.52
    1,4-butanediol 63.11
    1,1-dichloroethane 260.21
    2-methyl-1-pentanol 105.47
    methyl formate 132.65
    2-methyl-1-butanol 153.53
    n-decane 36.25
    butyronitrile 210.21
    3,7-dimethyl-1-octanol 130.33
    1-chlorooctane 100.45
    1-chlorotetradecane 47.05
    n-nonane 36.44
    undecane 26.67
    tert-butylcyclohexane 41.29
    cyclooctane 47.41
    cyclopentanol 198.0
    tetrahydropyran 458.13
    tert-amyl methyl ether 190.2
    2,5,8-trioxanonane 261.37
    1-hexene 113.2
    2-isopropoxyethanol 146.79
    2,2,2-trifluoroethanol 91.03
    methyl butyrate 153.59

    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