3-Mercaptopropanol

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  • Identifiers

    CAS number
    19721-22-3

    Molecular formula
    C3H8OS

    SMILES
    C(CO)CS

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Sulfurous 80.6%
    Meaty 76.92%
    Savory 48.76%
    Onion 48.46%
    Garlic 41.73%
    Roasted 41.16%
    Alliaceous 39.0%
    Cheesy 38.17%
    Vegetable 37.56%
    Cooked 35.23%

     

    Flavor
    Sweet 48.63%
    Sulfurous 42.88%
    Odorless 38.67%
    Alcoholic 35.66%
    Onion 28.0%
    Pungent 27.84%
    Vegetable 27.31%
    Bitter 27.16%
    Fishy 25.46%
    Soup 25.07%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    8.48 (weak base)

    Molecular weight
    92.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    178°C

    Flash point

    • 72.78 ˚C est.

  • Synonyms

    • 3-mercaptopropanol
    • RefChem:911464
    • 3-Mercapto-1-propanol
    • 19721-22-3
    • 1-Propanol, 3-mercapto-
    • 3-Sulfanylpropan-1-ol
    • 3-Hydroxypropanethiol
    • 3-Hydroxypropyl mercaptan
    • 3-Mercaptopropan-1-ol
    • 1-mercapto-3-propanol
    • 3-Sulfanyl-1-propanol
    • MFCD00192262
    • WY6F8YVC7Z
    • DTXSID3051836
    • 3-Mercaptopropanol;
    • NSC-46437
    • 63947-56-8
    • NSC46437
    • 3-mecapto-1-propanol
    • 3-mecaptopropan-1-ol
    • 3-hydroxypropylmercaptan
    • 3-mercapto-propan-1-ol
    • UNII-WY6F8YVC7Z
    • 3-Sulfanyl-1-propanol #
    • SCHEMBL23119
    • SCHEMBL811439
    • SCHEMBL934417
    • SCHEMBL1046526
    • SCHEMBL6669218
    • SCHEMBL7975916
    • 3-Mercapto-1-propanol, 95%
    • CHEMBL3234722
    • DTXCID8030392
    • SHLSSLVZXJBVHE-UHFFFAOYSA-
    • EINECS 264-572-5
    • Tox21_303927
    • NSC 46437
    • AKOS015898616
    • HY-W090210
    • NCGC00357168-01
    • PS-17830
    • CAS-19721-22-3
    • M1206
    • EN300-87411
    • D78398
    • F837425
    • InChI=1/C3H8OS/c4-2-1-3-5/h4-5H,1-3H2
    • 19721-22-3

  • Applications

    3-Mercaptopropanol (CAS 19721-22-3) is a bifunctional compound bearing a thiol (-SH) and a hydroxyl (-OH) group. In industry, it is used as an intermediate for the synthesis of sulfur-containing compounds and specialty chemicals, including tailored polymers and sulfur-containing linkers. It can act as a curing agent for epoxy resins via thiol-epoxy chemistry; as a chain-transfer agent in radical polymerizations to control molecular weight and to introduce thiol/hydroxyl functionality into polymer chains; as a surface modifier and adhesion promoter for coatings and adhesives, leveraging thiol interactions with metal and inorganic substrates; as a building block for thiol-ether linkages and other sulfur-containing connections in electronics, coatings, and surface-treatment applications; and as a pharmaceutical intermediate scaffold to construct sulfur-containing compounds, with use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 773.08
    methanol 1506.12
    isopropanol 373.01
    water 85.88
    ethyl acetate 73.11
    n-propanol 417.1
    acetone 358.09
    n-butanol 345.52
    acetonitrile 115.92
    DMF 498.72
    toluene 9.34
    isobutanol 211.97
    1,4-dioxane 252.78
    methyl acetate 90.98
    THF 487.41
    2-butanone 127.25
    n-pentanol 180.37
    sec-butanol 184.47
    n-hexane 8.01
    ethylene glycol 421.43
    NMP 354.51
    cyclohexane 14.83
    DMSO 929.56
    n-butyl acetate 114.83
    n-octanol 75.48
    chloroform 92.3
    n-propyl acetate 75.3
    acetic acid 1006.32
    dichloromethane 81.24
    cyclohexanone 244.46
    propylene glycol 267.45
    isopropyl acetate 45.15
    DMAc 188.13
    2-ethoxyethanol 283.42
    isopentanol 182.94
    n-heptane 15.23
    ethyl formate 114.87
    1,2-dichloroethane 60.58
    n-hexanol 178.65
    2-methoxyethanol 579.76
    isobutyl acetate 50.17
    tetrachloromethane 28.12
    n-pentyl acetate 68.86
    transcutol 642.59
    n-heptanol 85.47
    ethylbenzene 6.65
    MIBK 59.77
    2-propoxyethanol 290.33
    tert-butanol 292.42
    MTBE 64.95
    2-butoxyethanol 171.06
    propionic acid 321.06
    o-xylene 10.59
    formic acid 771.74
    diethyl ether 74.0
    m-xylene 10.65
    p-xylene 11.6
    chlorobenzene 29.09
    dimethyl carbonate 24.94
    n-octane 5.2
    formamide 593.13
    cyclopentanone 316.0
    2-pentanone 110.14
    anisole 36.54
    cyclopentyl methyl ether 110.05
    gamma-butyrolactone 323.03
    1-methoxy-2-propanol 280.67
    pyridine 119.13
    3-pentanone 53.86
    furfural 281.29
    n-dodecane 4.2
    diethylene glycol 356.04
    diisopropyl ether 18.62
    tert-amyl alcohol 153.26
    acetylacetone 128.61
    n-hexadecane 4.41
    acetophenone 47.31
    methyl propionate 60.11
    isopentyl acetate 81.92
    trichloroethylene 118.49
    n-nonanol 63.24
    cyclohexanol 183.46
    benzyl alcohol 63.53
    2-ethylhexanol 79.91
    isooctanol 63.1
    dipropyl ether 69.34
    1,2-dichlorobenzene 28.58
    ethyl lactate 54.83
    propylene carbonate 126.26
    n-methylformamide 364.91
    2-pentanol 126.86
    n-pentane 10.59
    1-propoxy-2-propanol 204.07
    1-methoxy-2-propyl acetate 88.39
    2-(2-methoxypropoxy) propanol 143.31
    mesitylene 10.1
    ε-caprolactone 172.32
    p-cymene 15.59
    epichlorohydrin 190.49
    1,1,1-trichloroethane 40.28
    2-aminoethanol 474.71
    morpholine-4-carbaldehyde 321.48
    sulfolane 383.85
    2,2,4-trimethylpentane 5.04
    2-methyltetrahydrofuran 216.59
    n-hexyl acetate 84.96
    isooctane 4.79
    2-(2-butoxyethoxy)ethanol 221.25
    sec-butyl acetate 35.64
    tert-butyl acetate 55.01
    decalin 4.65
    glycerin 411.6
    diglyme 329.29
    acrylic acid 322.45
    isopropyl myristate 35.49
    n-butyric acid 319.19
    acetyl acetate 55.58
    di(2-ethylhexyl) phthalate 49.25
    ethyl propionate 38.24
    nitromethane 575.34
    1,2-diethoxyethane 128.16
    benzonitrile 60.64
    trioctyl phosphate 40.81
    1-bromopropane 31.14
    gamma-valerolactone 356.95
    n-decanol 47.12
    triethyl phosphate 32.17
    4-methyl-2-pentanol 57.31
    propionitrile 81.63
    vinylene carbonate 116.07
    1,1,2-trichlorotrifluoroethane 235.76
    DMS 48.03
    cumene 8.63
    2-octanol 48.58
    2-hexanone 91.65
    octyl acetate 50.22
    limonene 29.84
    1,2-dimethoxyethane 287.22
    ethyl orthosilicate 32.76
    tributyl phosphate 46.85
    diacetone alcohol 128.19
    N,N-dimethylaniline 29.59
    acrylonitrile 113.56
    aniline 58.64
    1,3-propanediol 513.15
    bromobenzene 17.23
    dibromomethane 53.6
    1,1,2,2-tetrachloroethane 94.05
    2-methyl-cyclohexyl acetate 59.03
    tetrabutyl urea 64.45
    diisobutyl methanol 42.67
    2-phenylethanol 75.66
    styrene 9.44
    dioctyl adipate 63.07
    dimethyl sulfate 53.61
    ethyl butyrate 64.17
    methyl lactate 74.85
    butyl lactate 84.12
    diethyl carbonate 35.02
    propanediol butyl ether 187.14
    triethyl orthoformate 51.55
    p-tert-butyltoluene 15.51
    methyl 4-tert-butylbenzoate 69.8
    morpholine 342.21
    tert-butylamine 131.08
    n-dodecanol 36.35
    dimethoxymethane 150.55
    ethylene carbonate 90.3
    cyrene 126.96
    2-ethoxyethyl acetate 90.11
    2-ethylhexyl acetate 59.2
    1,2,4-trichlorobenzene 38.12
    4-methylpyridine 74.49
    dibutyl ether 52.62
    2,6-dimethyl-4-heptanol 42.67
    DEF 116.68
    dimethyl isosorbide 180.59
    tetrachloroethylene 93.74
    eugenol 97.16
    triacetin 92.26
    span 80 157.65
    1,4-butanediol 208.15
    1,1-dichloroethane 40.78
    2-methyl-1-pentanol 106.95
    methyl formate 201.63
    2-methyl-1-butanol 160.21
    n-decane 6.71
    butyronitrile 100.25
    3,7-dimethyl-1-octanol 62.2
    1-chlorooctane 23.8
    1-chlorotetradecane 9.99
    n-nonane 6.42
    undecane 5.04
    tert-butylcyclohexane 5.52
    cyclooctane 4.19
    cyclopentanol 267.12
    tetrahydropyran 207.1
    tert-amyl methyl ether 43.92
    2,5,8-trioxanonane 257.47
    1-hexene 22.96
    2-isopropoxyethanol 156.26
    2,2,2-trifluoroethanol 243.61
    methyl butyrate 71.23

    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