2-Propanethiol

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  • Identifiers

    CAS number
    75-33-2

    Molecular formula
    C3H8S

    SMILES
    CC(C)S

    Safety labels

    Flammable
    Flammable

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 89.0%
    Meaty 80.87%
    Onion 69.84%
    Garlic 62.12%
    Savory 55.83%
    Alliaceous 52.06%
    Roasted 48.73%
    Vegetable 47.56%
    Coffee 44.91%
    Gassy 41.91%

     

    Flavor
    Sulfurous 65.99%
    Onion 61.94%
    Meaty 58.55%
    Sulfury 40.54%
    Fishy 39.53%
    Gassy 39.38%
    Garlic 33.19%
    Ripe 32.66%
    Vegetable 28.06%
    Cabbage 27.39%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    10.43 (weak base)

    Molecular weight
    76.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -202.8 °F (USCG, 1999)
    • -130.7 °C

    Boiling point

    • 126.6 °F at 760 mmHg (USCG, 1999)
    • 52.5 °C
    • 57.00 to 60.00 °C. @ 760.00 mm Hg

    Flash point

    • -29.68 ˚C est.
    • -30 °F (USCG, 1999)
    • -30 °F (Open cup)

    Solubility expt.

    • Miscible in ethanol, ether; very soluble in acetone; soluble in chloroform
    • soluble in oil and alcohol

  • Synonyms

    • 2-Propanethiol
    • Propane-2-thiol
    • ISOPROPYL MERCAPTAN
    • 75-33-2
    • Isopropanethiol
    • Isopropylthiol
    • 2-Mercaptopropane
    • 2-Propylmercaptan
    • 1-Methylethanethiol
    • Isopropylmercaptan
    • 2-Propylthiol
    • Propanethiol-(2)
    • iso-C3H7SH
    • HSDB 625
    • 2mercaptopropane
    • UNII-E52LR62ETC
    • EINECS 200-861-4
    • E52LR62ETC
    • NSC 87537
    • CHEBI:8474
    • DTXSID1025481
    • AI3-22988
    • NSC-87537
    • DTXCID105481
    • FEMA NO. 3897
    • EC 200-861-4
    • ISOPROPYL MERCAPTAN [HSDB]
    • propan-2-thiol
    • MFCD00004863
    • 2propanethiol
    • i-propylthiol
    • isopropyl thiol
    • isopropane thiol
    • 2Propylmercaptan
    • 2-propanthiol
    • 2-propane thiol
    • 1Methylethanethiol
    • iPrSH
    • 2 -propylmercaptan
    • UN2402
    • 2-PROPYL MERCAPTAN
    • 2-Propanethiol, >=97%
    • 2-Propanethiol, >=98%
    • CHEMBL1897156
    • 2-Propanethiol, analytical standard
    • NSC87537
    • Tox21_201170
    • 2-Propanethiol, >=97.0% (GC)
    • AKOS000121903
    • CAS-75-33-2
    • NCGC00091817-01
    • NCGC00091817-02
    • NCGC00258722-01
    • BP-21263
    • DB-003328
    • NS00009826
    • P0489
    • EN300-29731
    • C08391
    • Q209470
    • F0001-1899

  • Applications

    2-Propanethiol (also known as isopropyl mercaptan, CAS 75-33-2) is a sulfur-containing compound with a pungent odor that finds wide use as an odorant to warn of leaks in natural gas and LPG, as a trace flavor–fragrance switch giving onion-garlic notes, as an intermediate for synthesizing sulfides, sulfones and disulfides in pharmaceuticals, agrochemicals, rubber additives, PVC heat stabilizers, polymerization catalysts, and as an alkylating or reducing agent in organic synthesis; it serves as a selective extractant for precious metals, a calibration standard in chromatography and sulfur micro-analysis, and a reference substrate in studies of radical, redox and biosensing chemistry, yet its high volatility, flammability and extremely strong smell require tight containment, good ventilation and specialized hazardous-chemical and fire-safety handling practices.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 234.91
    methanol 222.43
    isopropanol 218.96
    water 3.78
    ethyl acetate 146.31
    n-propanol 220.53
    acetone 196.28
    n-butanol 234.96
    acetonitrile 107.74
    DMF 183.57
    toluene 86.41
    isobutanol 164.43
    1,4-dioxane 254.53
    methyl acetate 134.54
    THF 417.61
    2-butanone 197.18
    n-pentanol 141.56
    sec-butanol 223.64
    n-hexane 119.32
    ethylene glycol 94.53
    NMP 244.96
    cyclohexane 138.18
    DMSO 156.16
    n-butyl acetate 207.73
    n-octanol 188.13
    chloroform 286.93
    n-propyl acetate 103.68
    acetic acid 204.38
    dichloromethane 173.04
    cyclohexanone 236.66
    propylene glycol 156.42
    isopropyl acetate 114.04
    DMAc 201.1
    2-ethoxyethanol 157.89
    isopentanol 168.45
    n-heptane 198.39
    ethyl formate 77.5
    1,2-dichloroethane 112.73
    n-hexanol 345.11
    2-methoxyethanol 252.54
    isobutyl acetate 87.21
    tetrachloromethane 103.87
    n-pentyl acetate 122.36
    transcutol 395.13
    n-heptanol 188.75
    ethylbenzene 54.19
    MIBK 112.91
    2-propoxyethanol 345.89
    tert-butanol 261.85
    MTBE 209.02
    2-butoxyethanol 218.15
    propionic acid 166.66
    o-xylene 72.86
    formic acid 64.03
    diethyl ether 204.86
    m-xylene 72.36
    p-xylene 68.25
    chlorobenzene 91.63
    dimethyl carbonate 60.05
    n-octane 59.69
    formamide 56.86
    cyclopentanone 268.58
    2-pentanone 174.4
    anisole 103.95
    cyclopentyl methyl ether 235.77
    gamma-butyrolactone 219.79
    1-methoxy-2-propanol 241.9
    pyridine 158.06
    3-pentanone 154.64
    furfural 170.81
    n-dodecane 41.28
    diethylene glycol 212.65
    diisopropyl ether 99.98
    tert-amyl alcohol 246.41
    acetylacetone 139.96
    n-hexadecane 43.31
    acetophenone 94.38
    methyl propionate 123.23
    isopentyl acetate 172.88
    trichloroethylene 190.04
    n-nonanol 166.32
    cyclohexanol 219.58
    benzyl alcohol 83.85
    2-ethylhexanol 230.64
    isooctanol 130.54
    dipropyl ether 255.85
    1,2-dichlorobenzene 84.2
    ethyl lactate 81.75
    propylene carbonate 143.26
    n-methylformamide 93.62
    2-pentanol 188.28
    n-pentane 118.26
    1-propoxy-2-propanol 355.2
    1-methoxy-2-propyl acetate 180.85
    2-(2-methoxypropoxy) propanol 190.69
    mesitylene 54.42
    ε-caprolactone 193.45
    p-cymene 83.96
    epichlorohydrin 191.56
    1,1,1-trichloroethane 172.26
    2-aminoethanol 154.22
    morpholine-4-carbaldehyde 214.83
    sulfolane 238.68
    2,2,4-trimethylpentane 54.79
    2-methyltetrahydrofuran 304.29
    n-hexyl acetate 180.35
    isooctane 44.32
    2-(2-butoxyethoxy)ethanol 249.25
    sec-butyl acetate 91.25
    tert-butyl acetate 144.7
    decalin 50.84
    glycerin 164.47
    diglyme 334.91
    acrylic acid 137.81
    isopropyl myristate 104.37
    n-butyric acid 199.77
    acetyl acetate 107.67
    di(2-ethylhexyl) phthalate 88.99
    ethyl propionate 100.98
    nitromethane 146.36
    1,2-diethoxyethane 177.93
    benzonitrile 87.61
    trioctyl phosphate 78.45
    1-bromopropane 136.85
    gamma-valerolactone 242.99
    n-decanol 130.42
    triethyl phosphate 81.47
    4-methyl-2-pentanol 112.63
    propionitrile 116.66
    vinylene carbonate 102.85
    1,1,2-trichlorotrifluoroethane 193.56
    DMS 99.53
    cumene 46.94
    2-octanol 130.28
    2-hexanone 136.26
    octyl acetate 135.36
    limonene 145.4
    1,2-dimethoxyethane 205.18
    ethyl orthosilicate 88.53
    tributyl phosphate 87.73
    diacetone alcohol 184.7
    N,N-dimethylaniline 83.73
    acrylonitrile 103.94
    aniline 119.5
    1,3-propanediol 170.63
    bromobenzene 86.91
    dibromomethane 162.59
    1,1,2,2-tetrachloroethane 196.36
    2-methyl-cyclohexyl acetate 141.62
    tetrabutyl urea 107.31
    diisobutyl methanol 126.39
    2-phenylethanol 142.04
    styrene 64.5
    dioctyl adipate 117.22
    dimethyl sulfate 74.28
    ethyl butyrate 150.58
    methyl lactate 103.41
    butyl lactate 124.19
    diethyl carbonate 98.14
    propanediol butyl ether 208.4
    triethyl orthoformate 132.83
    p-tert-butyltoluene 91.71
    methyl 4-tert-butylbenzoate 143.45
    morpholine 280.01
    tert-butylamine 206.17
    n-dodecanol 105.67
    dimethoxymethane 136.34
    ethylene carbonate 97.47
    cyrene 127.62
    2-ethoxyethyl acetate 121.48
    2-ethylhexyl acetate 152.42
    1,2,4-trichlorobenzene 111.0
    4-methylpyridine 137.75
    dibutyl ether 170.82
    2,6-dimethyl-4-heptanol 126.39
    DEF 157.11
    dimethyl isosorbide 231.69
    tetrachloroethylene 143.41
    eugenol 136.61
    triacetin 153.21
    span 80 234.22
    1,4-butanediol 84.85
    1,1-dichloroethane 156.1
    2-methyl-1-pentanol 122.06
    methyl formate 69.07
    2-methyl-1-butanol 170.47
    n-decane 67.38
    butyronitrile 129.16
    3,7-dimethyl-1-octanol 155.36
    1-chlorooctane 115.24
    1-chlorotetradecane 60.59
    n-nonane 72.64
    undecane 49.98
    tert-butylcyclohexane 53.9
    cyclooctane 69.66
    cyclopentanol 237.14
    tetrahydropyran 294.03
    tert-amyl methyl ether 185.29
    2,5,8-trioxanonane 253.51
    1-hexene 153.97
    2-isopropoxyethanol 137.78
    2,2,2-trifluoroethanol 78.15
    methyl butyrate 114.58

    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