2-Methylpropanethioic acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    44296-44-8

    Molecular formula
    C4H8OS

    SMILES
    CC(C)C(=O)S

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 80.11%
    Cheesy 74.07%
    Fruity 66.94%
    Tropical 54.45%
    Meaty 39.05%
    Ripe 37.22%
    Dairy 35.42%
    Vegetable 33.82%
    Roasted 33.68%
    Savory 31.09%

     

    Flavor
    Cheese 40.68%
    Sulfurous 31.16%
    Pungent 30.66%
    Odorless 27.03%
    Onion 26.89%
    Sour 26.77%
    Acidic 26.53%
    Sulfury 24.72%
    Mustard 24.27%
    Cooked 22.99%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    8.93 (weak base)

    Molecular weight
    104.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    128°C

    Flash point

    • 44.81 ˚C est.

  • Synonyms

    • 44296-44-8
    • 2-Methylpropanethioic acid
    • Propanethioic acid, 2-methyl-
    • DTXSID50196104
    • RefChem:1063856
    • DTXCID20118595
    • Thioisobutyric acid
    • 2-methylpropanethioic S-acid
    • 2-Methyl-propanethioic acid
    • Ac. alpha-Tioisobutirrico
    • Ac. alpha-Tioisobutirrico [Italian]
    • BRN 1848029
    • monoisobutyryl thiamine
    • methylthiopropionic acid
    • 2-methyl thiopropionic acid
    • SCHEMBL873800
    • SCHEMBL873801
    • SCHEMBL1122098
    • SCHEMBL1156817
    • EN300-2007750
    • 44296-44-8

  • Applications

    2-Methylpropanethioic acid (CAS 44296-44-8) is primarily used as an organic synthesis intermediate, enabling the preparation of thioesters and sulfur-containing derivatives and serving as a building block in downstream specialty chemicals. In the polymers/plastics sector, it can serve as a precursor to sulfur-containing monomers or thio-functionalized intermediates that influence crosslinking and durability. It is also used as a precursor in coatings, inks, and adhesives, where sulfur-containing intermediates can affect adhesion and stability of the final film or bond. Additionally, it may be evaluated for fragrance chemistry applications, depending on regulatory constraints and formulation limits, given its sulfurous nature.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 210.54
    methanol 309.62
    isopropanol 142.26
    water 26.19
    ethyl acetate 75.3
    n-propanol 134.51
    acetone 198.87
    n-butanol 117.96
    acetonitrile 157.44
    DMF 239.09
    toluene 20.22
    isobutanol 95.43
    1,4-dioxane 134.45
    methyl acetate 137.23
    THF 152.4
    2-butanone 137.72
    n-pentanol 87.37
    sec-butanol 118.39
    n-hexane 8.11
    ethylene glycol 70.75
    NMP 239.95
    cyclohexane 5.58
    DMSO 202.42
    n-butyl acetate 53.54
    n-octanol 55.21
    chloroform 221.65
    n-propyl acetate 55.05
    acetic acid 276.35
    dichloromethane 155.28
    cyclohexanone 132.13
    propylene glycol 81.3
    isopropyl acetate 51.14
    DMAc 249.31
    2-ethoxyethanol 132.21
    isopentanol 94.61
    n-heptane 6.07
    ethyl formate 81.47
    1,2-dichloroethane 79.11
    n-hexanol 71.35
    2-methoxyethanol 202.98
    isobutyl acetate 37.31
    tetrachloromethane 57.5
    n-pentyl acetate 64.76
    transcutol 306.53
    n-heptanol 61.88
    ethylbenzene 20.83
    MIBK 53.67
    2-propoxyethanol 108.54
    tert-butanol 150.31
    MTBE 78.34
    2-butoxyethanol 112.52
    propionic acid 153.77
    o-xylene 27.24
    formic acid 164.65
    diethyl ether 55.53
    m-xylene 19.59
    p-xylene 40.75
    chlorobenzene 51.15
    dimethyl carbonate 31.11
    n-octane 4.34
    formamide 237.79
    cyclopentanone 180.83
    2-pentanone 82.96
    anisole 58.27
    cyclopentyl methyl ether 54.01
    gamma-butyrolactone 189.48
    1-methoxy-2-propanol 131.04
    pyridine 111.63
    3-pentanone 59.85
    furfural 218.87
    n-dodecane 3.79
    diethylene glycol 104.46
    diisopropyl ether 19.63
    tert-amyl alcohol 131.38
    acetylacetone 110.89
    n-hexadecane 4.11
    acetophenone 77.44
    methyl propionate 64.39
    isopentyl acetate 56.68
    trichloroethylene 186.99
    n-nonanol 48.96
    cyclohexanol 65.07
    benzyl alcohol 73.03
    2-ethylhexanol 43.63
    isooctanol 50.75
    dipropyl ether 28.11
    1,2-dichlorobenzene 59.16
    ethyl lactate 40.91
    propylene carbonate 109.66
    n-methylformamide 165.91
    2-pentanol 72.5
    n-pentane 7.76
    1-propoxy-2-propanol 75.35
    1-methoxy-2-propyl acetate 58.75
    2-(2-methoxypropoxy) propanol 99.56
    mesitylene 15.44
    ε-caprolactone 118.56
    p-cymene 20.32
    epichlorohydrin 143.74
    1,1,1-trichloroethane 110.54
    2-aminoethanol 126.77
    morpholine-4-carbaldehyde 204.9
    sulfolane 218.15
    2,2,4-trimethylpentane 7.62
    2-methyltetrahydrofuran 117.53
    n-hexyl acetate 85.42
    isooctane 4.83
    2-(2-butoxyethoxy)ethanol 129.46
    sec-butyl acetate 39.68
    tert-butyl acetate 60.91
    decalin 6.65
    glycerin 110.37
    diglyme 198.06
    acrylic acid 149.27
    isopropyl myristate 32.55
    n-butyric acid 139.8
    acetyl acetate 70.56
    di(2-ethylhexyl) phthalate 45.03
    ethyl propionate 40.99
    nitromethane 338.09
    1,2-diethoxyethane 75.08
    benzonitrile 81.7
    trioctyl phosphate 30.19
    1-bromopropane 44.13
    gamma-valerolactone 211.34
    n-decanol 34.13
    triethyl phosphate 30.68
    4-methyl-2-pentanol 43.82
    propionitrile 77.69
    vinylene carbonate 100.41
    1,1,2-trichlorotrifluoroethane 173.74
    DMS 60.87
    cumene 21.05
    2-octanol 45.93
    2-hexanone 73.46
    octyl acetate 45.27
    limonene 27.88
    1,2-dimethoxyethane 153.12
    ethyl orthosilicate 30.66
    tributyl phosphate 35.06
    diacetone alcohol 101.38
    N,N-dimethylaniline 51.53
    acrylonitrile 116.36
    aniline 58.01
    1,3-propanediol 139.12
    bromobenzene 38.01
    dibromomethane 98.02
    1,1,2,2-tetrachloroethane 146.09
    2-methyl-cyclohexyl acetate 51.05
    tetrabutyl urea 42.09
    diisobutyl methanol 27.28
    2-phenylethanol 65.56
    styrene 24.79
    dioctyl adipate 51.11
    dimethyl sulfate 64.62
    ethyl butyrate 42.05
    methyl lactate 58.0
    butyl lactate 63.17
    diethyl carbonate 32.55
    propanediol butyl ether 116.77
    triethyl orthoformate 34.19
    p-tert-butyltoluene 20.73
    methyl 4-tert-butylbenzoate 83.74
    morpholine 145.08
    tert-butylamine 83.2
    n-dodecanol 24.86
    dimethoxymethane 78.59
    ethylene carbonate 69.06
    cyrene 97.57
    2-ethoxyethyl acetate 90.58
    2-ethylhexyl acetate 44.17
    1,2,4-trichlorobenzene 78.29
    4-methylpyridine 105.7
    dibutyl ether 38.98
    2,6-dimethyl-4-heptanol 27.28
    DEF 91.26
    dimethyl isosorbide 122.96
    tetrachloroethylene 121.21
    eugenol 95.5
    triacetin 95.89
    span 80 99.25
    1,4-butanediol 70.7
    1,1-dichloroethane 99.11
    2-methyl-1-pentanol 81.03
    methyl formate 113.02
    2-methyl-1-butanol 91.8
    n-decane 6.3
    butyronitrile 77.62
    3,7-dimethyl-1-octanol 52.01
    1-chlorooctane 25.73
    1-chlorotetradecane 10.57
    n-nonane 5.88
    undecane 4.68
    tert-butylcyclohexane 8.75
    cyclooctane 2.37
    cyclopentanol 92.79
    tetrahydropyran 76.74
    tert-amyl methyl ether 58.47
    2,5,8-trioxanonane 139.09
    1-hexene 29.54
    2-isopropoxyethanol 97.54
    2,2,2-trifluoroethanol 140.14
    methyl butyrate 64.56

    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