1-Mercapto-2-propanol

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  • Identifiers

    CAS number
    1068-47-9

    Molecular formula
    C3H8OS

    SMILES
    CC(CS)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 86.76%
    Meaty 80.52%
    Onion 56.99%
    Savory 55.37%
    Roasted 53.58%
    Garlic 44.77%
    Alliaceous 42.97%
    Beefy 36.47%
    Cooked 35.66%
    Burnt 34.49%

     

    Flavor
    Sulfurous 46.06%
    Odorless 39.62%
    Onion 37.64%
    Fishy 30.09%
    Meaty 28.95%
    Sulfury 27.53%
    Roasted 24.85%
    Very slight 22.37%
    Sweet-like 21.47%
    Vegetable 21.02%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    9.36 (weak base)

    Molecular weight
    92.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    158°C

    Flash point

    • 58.84 ˚C est.

  • Synonyms

    • 1-Mercapto-2-propanol
    • 1-Mercaptopropan-2-ol
    • 2-Propanol, 1-mercapto-
    • EINECS 213-946-6
    • DTXSID80893058
    • RefChem:433420
    • DTXCID901323002
    • 213-946-6
    • 1-Sulfanylpropan-2-ol
    • 1068-47-9
    • MFCD00004878
    • mercapto-2-propanol
    • 1-Mercapto-propan-2-ol
    • SCHEMBL154444
    • SCHEMBL246003
    • SCHEMBL3668996
    • SCHEMBL6036973
    • SCHEMBL8470764
    • 1-Mercapto-2-propanol, 95%
    • AKOS015912547
    • SY060493
    • CS-0265005
    • NS00042742
    • EN300-95888
    • G76560
    • 1068-47-9

  • Applications

    1-Mercapto-2-propanol (CAS 1068-47-9) is primarily used as an intermediate for the synthesis of sulfur-containing compounds, providing thiol and hydroxyl functionality for further derivatization in pharmaceutical and agrochemical research. It is also employed as a chain-transfer agent or crosslinker in radical polymerization, enabling controlled molecular weight and network formation in coatings, plastics and inks. In fragrance and flavor chemistry, it may serve as a precursor to sulfur-containing aroma compounds; in cosmetics and personal care, it can operate as a reactive intermediate to furnish sulfur-containing cosmetic ingredients. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 508.63
    methanol 898.7
    isopropanol 298.7
    water 219.96
    ethyl acetate 70.63
    n-propanol 302.96
    acetone 268.24
    n-butanol 268.24
    acetonitrile 141.52
    DMF 429.36
    toluene 10.91
    isobutanol 163.95
    1,4-dioxane 183.14
    methyl acetate 98.96
    THF 263.08
    2-butanone 131.99
    n-pentanol 153.25
    sec-butanol 187.05
    n-hexane 9.13
    ethylene glycol 357.6
    NMP 232.7
    cyclohexane 11.11
    DMSO 384.08
    n-butyl acetate 52.45
    n-octanol 75.2
    chloroform 80.05
    n-propyl acetate 50.51
    acetic acid 552.38
    dichloromethane 59.4
    cyclohexanone 136.47
    propylene glycol 331.6
    isopropyl acetate 41.05
    DMAc 271.52
    2-ethoxyethanol 262.79
    isopentanol 148.18
    n-heptane 12.45
    ethyl formate 98.0
    1,2-dichloroethane 40.41
    n-hexanol 137.38
    2-methoxyethanol 518.48
    isobutyl acetate 31.74
    tetrachloromethane 31.16
    n-pentyl acetate 47.6
    transcutol 391.1
    n-heptanol 86.02
    ethylbenzene 7.42
    MIBK 47.51
    2-propoxyethanol 237.61
    tert-butanol 242.86
    MTBE 64.64
    2-butoxyethanol 164.38
    propionic acid 241.53
    o-xylene 12.77
    formic acid 475.69
    diethyl ether 71.3
    m-xylene 11.4
    p-xylene 11.35
    chlorobenzene 19.97
    dimethyl carbonate 29.16
    n-octane 4.96
    formamide 420.64
    cyclopentanone 191.59
    2-pentanone 95.92
    anisole 35.7
    cyclopentyl methyl ether 79.28
    gamma-butyrolactone 160.24
    1-methoxy-2-propanol 282.88
    pyridine 88.2
    3-pentanone 60.52
    furfural 172.5
    n-dodecane 4.05
    diethylene glycol 300.4
    diisopropyl ether 16.45
    tert-amyl alcohol 158.58
    acetylacetone 97.56
    n-hexadecane 4.11
    acetophenone 42.34
    methyl propionate 64.77
    isopentyl acetate 39.47
    trichloroethylene 71.79
    n-nonanol 63.03
    cyclohexanol 124.35
    benzyl alcohol 68.03
    2-ethylhexanol 59.92
    isooctanol 57.81
    dipropyl ether 43.13
    1,2-dichlorobenzene 19.55
    ethyl lactate 52.25
    propylene carbonate 70.95
    n-methylformamide 297.46
    2-pentanol 119.58
    n-pentane 11.39
    1-propoxy-2-propanol 150.19
    1-methoxy-2-propyl acetate 56.02
    2-(2-methoxypropoxy) propanol 115.08
    mesitylene 8.81
    ε-caprolactone 101.35
    p-cymene 12.26
    epichlorohydrin 119.99
    1,1,1-trichloroethane 36.28
    2-aminoethanol 443.62
    morpholine-4-carbaldehyde 242.37
    sulfolane 181.95
    2,2,4-trimethylpentane 5.4
    2-methyltetrahydrofuran 134.88
    n-hexyl acetate 61.24
    isooctane 3.89
    2-(2-butoxyethoxy)ethanol 171.53
    sec-butyl acetate 27.92
    tert-butyl acetate 43.18
    decalin 4.58
    glycerin 430.58
    diglyme 227.55
    acrylic acid 242.09
    isopropyl myristate 24.78
    n-butyric acid 235.93
    acetyl acetate 49.65
    di(2-ethylhexyl) phthalate 35.36
    ethyl propionate 35.98
    nitromethane 344.72
    1,2-diethoxyethane 76.84
    benzonitrile 41.44
    trioctyl phosphate 28.29
    1-bromopropane 24.3
    gamma-valerolactone 221.35
    n-decanol 44.25
    triethyl phosphate 24.19
    4-methyl-2-pentanol 54.1
    propionitrile 89.4
    vinylene carbonate 66.52
    1,1,2-trichlorotrifluoroethane 194.48
    DMS 36.59
    cumene 8.4
    2-octanol 47.23
    2-hexanone 63.76
    octyl acetate 37.47
    limonene 21.3
    1,2-dimethoxyethane 214.04
    ethyl orthosilicate 24.85
    tributyl phosphate 29.6
    diacetone alcohol 112.77
    N,N-dimethylaniline 30.83
    acrylonitrile 113.96
    aniline 61.11
    1,3-propanediol 424.94
    bromobenzene 11.64
    dibromomethane 37.69
    1,1,2,2-tetrachloroethane 65.79
    2-methyl-cyclohexyl acetate 38.56
    tetrabutyl urea 44.51
    diisobutyl methanol 27.81
    2-phenylethanol 64.49
    styrene 10.09
    dioctyl adipate 41.13
    dimethyl sulfate 47.23
    ethyl butyrate 39.64
    methyl lactate 89.08
    butyl lactate 62.7
    diethyl carbonate 24.51
    propanediol butyl ether 164.06
    triethyl orthoformate 33.27
    p-tert-butyltoluene 13.21
    methyl 4-tert-butylbenzoate 56.78
    morpholine 232.43
    tert-butylamine 117.36
    n-dodecanol 32.88
    dimethoxymethane 145.57
    ethylene carbonate 55.17
    cyrene 98.07
    2-ethoxyethyl acetate 61.68
    2-ethylhexyl acetate 31.32
    1,2,4-trichlorobenzene 27.68
    4-methylpyridine 63.17
    dibutyl ether 37.14
    2,6-dimethyl-4-heptanol 27.81
    DEF 113.44
    dimethyl isosorbide 120.41
    tetrachloroethylene 66.54
    eugenol 79.15
    triacetin 65.36
    span 80 112.8
    1,4-butanediol 185.93
    1,1-dichloroethane 37.48
    2-methyl-1-pentanol 95.95
    methyl formate 166.88
    2-methyl-1-butanol 141.59
    n-decane 6.54
    butyronitrile 93.79
    3,7-dimethyl-1-octanol 53.26
    1-chlorooctane 19.42
    1-chlorotetradecane 8.49
    n-nonane 6.3
    undecane 4.94
    tert-butylcyclohexane 5.22
    cyclooctane 4.01
    cyclopentanol 179.09
    tetrahydropyran 123.03
    tert-amyl methyl ether 50.45
    2,5,8-trioxanonane 179.23
    1-hexene 23.95
    2-isopropoxyethanol 143.62
    2,2,2-trifluoroethanol 206.31
    methyl butyrate 57.69

    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