Propanethioic acid

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  • Identifiers

    CAS number
    1892-31-5

    Molecular formula
    C3H6OS

    SMILES
    CCC(=O)S

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Sulfurous 81.65%
    Cheesy 62.98%
    Meaty 50.12%
    Roasted 40.46%
    Vegetable 38.99%
    Onion 38.95%
    Savory 37.41%
    Cabbage 36.49%
    Garlic 36.04%
    Alliaceous 35.13%

     

    Flavor
    Pungent 43.69%
    Odorless 35.53%
    Cheese 32.91%
    Acidic 30.98%
    Sulfurous 30.98%
    Sour 30.64%
    Garlic 28.28%
    Mustard 27.85%
    Vinegar 27.17%
    Rancid 26.3%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    9.19 (weak base)

    Molecular weight
    90.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    122°C

    Flash point

    • 37.97 ˚C est.

  • Synonyms

    • Propanethioic acid
    • 1892-31-5
    • thiopropionic acid
    • propanethioic S-acid
    • Propanethioic acid (9CI)
    • thiopropionicacid
    • EINECS 217-577-1
    • DTXSID0075156
    • NSC 74249
    • NSC-74249
    • Thiopropionsaure
    • thiopropanoic acid
    • NSC74249
    • methylthioacetic acid
    • YSX8CJ46RR
    • DTXCID8035978
    • AKOS006277702
    • AKOS028109312
    • NS00026190
    • EN300-1716848
    • 217-577-1

  • Applications

    Propanethioic acid (CAS 1892-31-5) is used primarily as a sulfur-containing building block in organic synthesis. It serves as an intermediate for preparing thioester and thiol-functional derivatives, enabling introduction of sulfur-containing moieties into small molecules, polymers, and coatings. In polymer and coatings chemistry, it can be employed to introduce sulfur-containing linkages or to generate thiol-functional sites for crosslinking and post-treatment. It is also encountered as a synthetic precursor in pharmaceutical and agrochemical research, where it may participate in routes to sulfur-containing intermediates. In addition, it is occasionally evaluated as a reagent in thiolation steps and other acyl-related transformations in development settings. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 354.94
    methanol 613.74
    isopropanol 229.22
    water 82.5
    ethyl acetate 108.18
    n-propanol 219.69
    acetone 371.17
    n-butanol 195.12
    acetonitrile 301.01
    DMF 613.46
    toluene 32.96
    isobutanol 146.71
    1,4-dioxane 209.0
    methyl acetate 197.82
    THF 214.78
    2-butanone 208.29
    n-pentanol 140.32
    sec-butanol 179.24
    n-hexane 10.77
    ethylene glycol 144.58
    NMP 481.12
    cyclohexane 7.21
    DMSO 418.26
    n-butyl acetate 55.36
    n-octanol 72.0
    chloroform 255.45
    n-propyl acetate 71.27
    acetic acid 497.74
    dichloromethane 221.8
    cyclohexanone 194.72
    propylene glycol 134.37
    isopropyl acetate 65.69
    DMAc 490.59
    2-ethoxyethanol 236.98
    isopentanol 145.17
    n-heptane 7.05
    ethyl formate 144.11
    1,2-dichloroethane 114.76
    n-hexanol 83.71
    2-methoxyethanol 403.15
    isobutyl acetate 43.46
    tetrachloromethane 61.08
    n-pentyl acetate 72.92
    transcutol 483.68
    n-heptanol 67.97
    ethylbenzene 27.54
    MIBK 70.49
    2-propoxyethanol 151.49
    tert-butanol 218.5
    MTBE 108.52
    2-butoxyethanol 138.21
    propionic acid 234.76
    o-xylene 37.81
    formic acid 350.91
    diethyl ether 83.77
    m-xylene 26.93
    p-xylene 47.97
    chlorobenzene 76.06
    dimethyl carbonate 54.56
    n-octane 5.2
    formamide 488.11
    cyclopentanone 266.47
    2-pentanone 129.69
    anisole 91.83
    cyclopentyl methyl ether 80.28
    gamma-butyrolactone 280.57
    1-methoxy-2-propanol 229.74
    pyridine 190.61
    3-pentanone 91.56
    furfural 363.24
    n-dodecane 5.02
    diethylene glycol 163.47
    diisopropyl ether 23.52
    tert-amyl alcohol 183.58
    acetylacetone 167.82
    n-hexadecane 5.34
    acetophenone 114.3
    methyl propionate 102.11
    isopentyl acetate 55.6
    trichloroethylene 238.73
    n-nonanol 60.9
    cyclohexanol 95.92
    benzyl alcohol 122.66
    2-ethylhexanol 46.77
    isooctanol 52.39
    dipropyl ether 33.33
    1,2-dichlorobenzene 81.05
    ethyl lactate 54.18
    propylene carbonate 132.34
    n-methylformamide 371.78
    2-pentanol 107.61
    n-pentane 11.42
    1-propoxy-2-propanol 91.78
    1-methoxy-2-propyl acetate 67.36
    2-(2-methoxypropoxy) propanol 133.79
    mesitylene 18.61
    ε-caprolactone 166.64
    p-cymene 21.01
    epichlorohydrin 212.55
    1,1,1-trichloroethane 123.1
    2-aminoethanol 230.73
    morpholine-4-carbaldehyde 413.25
    sulfolane 302.84
    2,2,4-trimethylpentane 8.71
    2-methyltetrahydrofuran 157.71
    n-hexyl acetate 98.01
    isooctane 4.79
    2-(2-butoxyethoxy)ethanol 178.61
    sec-butyl acetate 46.27
    tert-butyl acetate 71.18
    decalin 7.63
    glycerin 195.35
    diglyme 283.48
    acrylic acid 239.38
    isopropyl myristate 39.3
    n-butyric acid 211.28
    acetyl acetate 90.03
    di(2-ethylhexyl) phthalate 53.17
    ethyl propionate 55.39
    nitromethane 644.2
    1,2-diethoxyethane 101.31
    benzonitrile 129.43
    trioctyl phosphate 34.82
    1-bromopropane 64.04
    gamma-valerolactone 368.46
    n-decanol 42.33
    triethyl phosphate 34.56
    4-methyl-2-pentanol 57.65
    propionitrile 141.35
    vinylene carbonate 143.75
    1,1,2-trichlorotrifluoroethane 247.38
    DMS 77.76
    cumene 25.57
    2-octanol 51.75
    2-hexanone 98.16
    octyl acetate 52.71
    limonene 29.76
    1,2-dimethoxyethane 267.01
    ethyl orthosilicate 33.98
    tributyl phosphate 42.06
    diacetone alcohol 130.29
    N,N-dimethylaniline 78.75
    acrylonitrile 210.01
    aniline 102.62
    1,3-propanediol 249.48
    bromobenzene 54.85
    dibromomethane 131.09
    1,1,2,2-tetrachloroethane 182.79
    2-methyl-cyclohexyl acetate 50.82
    tetrabutyl urea 55.58
    diisobutyl methanol 29.04
    2-phenylethanol 85.12
    styrene 37.95
    dioctyl adipate 63.48
    dimethyl sulfate 113.55
    ethyl butyrate 47.54
    methyl lactate 90.4
    butyl lactate 74.46
    diethyl carbonate 35.62
    propanediol butyl ether 161.95
    triethyl orthoformate 37.95
    p-tert-butyltoluene 21.11
    methyl 4-tert-butylbenzoate 99.5
    morpholine 242.4
    tert-butylamine 117.25
    n-dodecanol 30.82
    dimethoxymethane 165.83
    ethylene carbonate 98.08
    cyrene 124.91
    2-ethoxyethyl acetate 114.27
    2-ethylhexyl acetate 43.33
    1,2,4-trichlorobenzene 108.25
    4-methylpyridine 196.18
    dibutyl ether 50.93
    2,6-dimethyl-4-heptanol 29.04
    DEF 185.37
    dimethyl isosorbide 143.39
    tetrachloroethylene 157.06
    eugenol 122.24
    triacetin 124.71
    span 80 121.69
    1,4-butanediol 119.71
    1,1-dichloroethane 128.35
    2-methyl-1-pentanol 117.25
    methyl formate 233.16
    2-methyl-1-butanol 140.9
    n-decane 8.17
    butyronitrile 137.69
    3,7-dimethyl-1-octanol 61.35
    1-chlorooctane 29.74
    1-chlorotetradecane 12.79
    n-nonane 7.52
    undecane 6.13
    tert-butylcyclohexane 9.2
    cyclooctane 2.92
    cyclopentanol 140.75
    tetrahydropyran 116.28
    tert-amyl methyl ether 80.93
    2,5,8-trioxanonane 209.78
    1-hexene 40.55
    2-isopropoxyethanol 140.16
    2,2,2-trifluoroethanol 206.28
    methyl butyrate 94.16

    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