(Methylthio)acetic acid

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  • Identifiers

    CAS number
    2444-37-3

    Molecular formula
    C3H6O2S

    SMILES
    CSCC(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 85.77%
    Fruity 66.61%
    Green 59.35%
    Cheesy 59.1%
    Tropical 58.96%
    Onion 52.5%
    Meaty 52.37%
    Vegetable 52.04%
    Savory 45.22%
    Alliaceous 43.68%

     

    Flavor
    Sulfury 42.67%
    Sulfurous 38.03%
    Cheese 32.63%
    Garlic 32.46%
    Cabbage 31.44%
    Onion 30.79%
    Vegetable 30.1%
    Cooked 29.41%
    Roasted 28.92%
    Sulfur 28.49%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    7.2 (neutral)

    Molecular weight
    106.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    248°C

    Flash point

    • 91.73 ˚C est.

  • Synonyms

    • (Methylthio)acetic acid
    • 2444-37-3
    • 2-methylsulfanylacetic acid
    • (Methylsulfanyl)acetic acid
    • UMV7E1UCUX
    • NSC-263480
    • CHEBI:47870
    • DTXSID10179195
    • ACETIC ACID, 2-(METHYLTHIO)-
    • RefChem:406621
    • DTXCID40101686
    • 219-483-6
    • 2-(methylthio)acetic acid
    • Acetic acid, (methylthio)-
    • MFCD00075444
    • 2-(methylsulfanyl)acetic acid
    • 2-Methylthioacetic acid
    • methylsulfenylacetic acid
    • methylmercaptoacetic acid
    • (Methylmercapto)acetic acid
    • S-Methylthioglycolate
    • Methylsulfanylacetic acid; NSC 263480; S-Methylthioglycolic acid
    • UNII-UMV7E1UCUX
    • Acetic acid,2-(methylthio)-
    • MTG
    • EINECS 219-483-6
    • NSC 263480
    • (methylthio) acetic acid
    • 2-(methylthio)aceticacid
    • acetic acid, methylthio-
    • methylsulfanyl acetic acid
    • methylsulfanyl-acetic acid
    • S-methyl-thioglycolic acid
    • SCHEMBL44558
    • (Methylsulfanyl)acetic acid #
    • (Methylthio)acetic acid, 99%
    • LCZC1675
    • METHYLSULFANYLACETIC ACID
    • SCHEMBL2907083
    • SCHEMBL4442419
    • S-METHYLTHIOGLYCOLIC ACID
    • METHYLSULFENYL)ACETIC ACID
    • 2-(METHYLTHIO)ETHANOIC ACID
    • STR05301
    • BBL104386
    • MSK166484
    • NSC263480
    • SBB053570
    • STL558658
    • AKOS000264309
    • EBC-381054
    • .ALPHA.-(METHYLTHIO)ACETIC ACID
    • SY061824
    • CS-0015159
    • NS00002815
    • ST51028400
    • EN300-07879
    • C03173
    • F15988
    • F010416
    • Q27104596
    • Z56960331
    • F8881-5056
    • 2444-37-3

  • Applications

    (Methylthio)acetic acid, CAS 2444-37-3, is primarily used as an intermediate in organic synthesis, providing a building block for sulfur-containing thioether units and sulfur-containing esters and amides. It is employed as a precursor in the preparation of pharmaceutical and agrochemical compounds, as well as in specialty polymers and in coatings and inks. It can be used as a ligand (a metal-binding coordinating molecule) or a chelation precursor in catalytic and coordination chemistry studies, and is considered a precursor for the synthesis of sulfur-containing fragrance-related compounds. Depending on local regulations and formulation limits, it may be applied across these industrial areas.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 431.76
    methanol 621.14
    isopropanol 298.44
    water 358.79
    ethyl acetate 86.41
    n-propanol 259.14
    acetone 340.62
    n-butanol 177.99
    acetonitrile 130.81
    DMF 827.25
    toluene 10.02
    isobutanol 141.15
    1,4-dioxane 213.11
    methyl acetate 102.75
    THF 443.09
    2-butanone 135.99
    n-pentanol 129.82
    sec-butanol 150.53
    n-hexane 7.33
    ethylene glycol 426.16
    NMP 514.54
    cyclohexane 5.53
    DMSO 679.39
    n-butyl acetate 53.08
    n-octanol 79.31
    chloroform 18.41
    n-propyl acetate 68.92
    acetic acid 613.74
    dichloromethane 20.46
    cyclohexanone 145.41
    propylene glycol 323.85
    isopropyl acetate 54.31
    DMAc 358.8
    2-ethoxyethanol 321.08
    isopentanol 110.55
    n-heptane 8.58
    ethyl formate 101.39
    1,2-dichloroethane 27.68
    n-hexanol 114.63
    2-methoxyethanol 577.1
    isobutyl acetate 38.9
    tetrachloromethane 5.73
    n-pentyl acetate 52.22
    transcutol 535.27
    n-heptanol 63.84
    ethylbenzene 8.9
    MIBK 73.11
    2-propoxyethanol 287.22
    tert-butanol 265.75
    MTBE 51.39
    2-butoxyethanol 155.03
    propionic acid 258.65
    o-xylene 13.83
    formic acid 546.42
    diethyl ether 61.52
    m-xylene 16.61
    p-xylene 11.37
    chlorobenzene 13.1
    dimethyl carbonate 57.59
    n-octane 3.69
    formamide 505.95
    cyclopentanone 263.07
    2-pentanone 128.61
    anisole 44.28
    cyclopentyl methyl ether 117.04
    gamma-butyrolactone 323.17
    1-methoxy-2-propanol 409.9
    pyridine 63.75
    3-pentanone 72.43
    furfural 246.77
    n-dodecane 4.04
    diethylene glycol 366.62
    diisopropyl ether 20.76
    tert-amyl alcohol 131.44
    acetylacetone 155.49
    n-hexadecane 4.27
    acetophenone 59.94
    methyl propionate 100.03
    isopentyl acetate 41.74
    trichloroethylene 39.7
    n-nonanol 68.15
    cyclohexanol 116.28
    benzyl alcohol 66.33
    2-ethylhexanol 47.41
    isooctanol 45.64
    dipropyl ether 51.98
    1,2-dichlorobenzene 15.36
    ethyl lactate 79.03
    propylene carbonate 124.81
    n-methylformamide 408.43
    2-pentanol 110.23
    n-pentane 7.23
    1-propoxy-2-propanol 185.6
    1-methoxy-2-propyl acetate 85.1
    2-(2-methoxypropoxy) propanol 158.95
    mesitylene 13.82
    ε-caprolactone 142.62
    p-cymene 12.64
    epichlorohydrin 176.36
    1,1,1-trichloroethane 18.31
    2-aminoethanol 439.4
    morpholine-4-carbaldehyde 489.18
    sulfolane 385.63
    2,2,4-trimethylpentane 3.89
    2-methyltetrahydrofuran 174.61
    n-hexyl acetate 87.0
    isooctane 4.34
    2-(2-butoxyethoxy)ethanol 252.34
    sec-butyl acetate 35.58
    tert-butyl acetate 71.0
    decalin 4.79
    glycerin 475.94
    diglyme 296.05
    acrylic acid 277.87
    isopropyl myristate 38.19
    n-butyric acid 197.25
    acetyl acetate 57.64
    di(2-ethylhexyl) phthalate 47.37
    ethyl propionate 61.42
    nitromethane 526.38
    1,2-diethoxyethane 84.34
    benzonitrile 40.99
    trioctyl phosphate 41.6
    1-bromopropane 12.78
    gamma-valerolactone 380.96
    n-decanol 51.47
    triethyl phosphate 30.1
    4-methyl-2-pentanol 57.61
    propionitrile 68.34
    vinylene carbonate 99.69
    1,1,2-trichlorotrifluoroethane 212.43
    DMS 62.84
    cumene 11.1
    2-octanol 42.4
    2-hexanone 81.18
    octyl acetate 55.31
    limonene 20.09
    1,2-dimethoxyethane 286.43
    ethyl orthosilicate 28.34
    tributyl phosphate 43.68
    diacetone alcohol 173.88
    N,N-dimethylaniline 44.51
    acrylonitrile 101.71
    aniline 42.58
    1,3-propanediol 392.86
    bromobenzene 6.93
    dibromomethane 13.0
    1,1,2,2-tetrachloroethane 39.23
    2-methyl-cyclohexyl acetate 44.85
    tetrabutyl urea 72.75
    diisobutyl methanol 31.87
    2-phenylethanol 67.21
    styrene 9.12
    dioctyl adipate 63.29
    dimethyl sulfate 112.0
    ethyl butyrate 45.57
    methyl lactate 140.92
    butyl lactate 71.59
    diethyl carbonate 28.6
    propanediol butyl ether 197.81
    triethyl orthoformate 38.76
    p-tert-butyltoluene 13.63
    methyl 4-tert-butylbenzoate 90.6
    morpholine 325.2
    tert-butylamine 105.58
    n-dodecanol 40.13
    dimethoxymethane 269.05
    ethylene carbonate 79.98
    cyrene 166.6
    2-ethoxyethyl acetate 76.1
    2-ethylhexyl acetate 29.67
    1,2,4-trichlorobenzene 21.82
    4-methylpyridine 56.54
    dibutyl ether 42.54
    2,6-dimethyl-4-heptanol 31.87
    DEF 163.36
    dimethyl isosorbide 229.31
    tetrachloroethylene 30.22
    eugenol 118.82
    triacetin 100.07
    span 80 164.74
    1,4-butanediol 188.08
    1,1-dichloroethane 19.04
    2-methyl-1-pentanol 76.17
    methyl formate 258.7
    2-methyl-1-butanol 97.81
    n-decane 6.08
    butyronitrile 62.93
    3,7-dimethyl-1-octanol 58.34
    1-chlorooctane 21.01
    1-chlorotetradecane 10.52
    n-nonane 5.69
    undecane 4.76
    tert-butylcyclohexane 5.61
    cyclooctane 2.94
    cyclopentanol 196.06
    tetrahydropyran 119.56
    tert-amyl methyl ether 46.0
    2,5,8-trioxanonane 264.54
    1-hexene 18.88
    2-isopropoxyethanol 178.74
    2,2,2-trifluoroethanol 238.95
    methyl butyrate 82.69

    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