S-Methylthiolactic acid

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  • Identifiers

    CAS number
    58809-73-7

    Molecular formula
    C4H8O2S

    SMILES
    CC(C(=O)O)SC

  • Odor profile

    Fragrance
    Fruity 86.27%
    Sulfurous 86.15%
    Tropical 78.52%
    Green 63.77%
    Cheesy 63.41%
    Meaty 51.58%
    Vegetable 49.93%
    Onion 44.62%
    Savory 40.25%
    Roasted 39.4%

     

    Flavor
    Sulfury 38.94%
    Cheese 37.97%
    Onion 35.23%
    Sulfurous 35.01%
    Cooked 33.31%
    Cabbage 32.76%
    Roasted 28.54%
    Acidic 26.21%
    Garlic 25.6%
    Meaty 25.35%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    7.14 (neutral)

    Molecular weight
    120.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    226°C

    Flash point

    • 90.94 ˚C est.

  • Synonyms

    • 2-(methylthio)propanoic acid
    • 58809-73-7
    • 2-(Methylthio)propionic acid
    • S-Methylthiolactic acid
    • 2-(methylsulfanyl)propanoic acid
    • 2-methylsulfanylpropanoic acid
    • propanoic acid, 2-(methylthio)-
    • BV8122YYCR
    • EINECS 261-450-3
    • 33178-97-1
    • METHYL(METHYLTHIO)ACETATE
    • UNII-BV8122YYCR
    • Propanoic acid,2-(methylthio)-
    • 2-(methylthio)propanoicacid
    • SCHEMBL990356
    • DTXSID70866711
    • S-methyl-2-mercaptopropionic acid
    • ALBB-005886
    • EINECS 251-399-5
    • MFCD09944933
    • STK503595
    • AKOS000189458
    • AKOS016342145
    • LS-02169
    • NS00053882
    • (+/-)-2-(METHYLTHIO)PROPANOIC ACID
    • EN300-39616
    • G37333
    • Q27274908
    • Z149191750
    • 261-450-3

  • Applications

    S-Methylthiolactic acid (CAS 58809-73-7) is primarily used as an organic synthesis intermediate and a chiral building block for sulfur-containing lactic acid derivatives, enabling the preparation of pharmaceutical and agrochemical compounds. It may serve as a precursor for thioester and beta-hydroxy sulfur derivatives used in medicinal chemistry, and it is sometimes explored as a fragrance or flavor intermediate due to its sulfur-containing functionality. The compound can also be employed as a precursor for sulfur-containing monomers and additives in polymers, plastics, and coatings, supporting specialty material development. In general, it is used in industrial manufacturing as an intermediate for diverse organic syntheses, with specific applications governed by formulation needs and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 56.52
    methanol 89.2
    isopropanol 26.9
    water 50.06
    ethyl acetate 8.77
    n-propanol 30.31
    acetone 17.99
    n-butanol 24.75
    acetonitrile 5.63
    DMF 42.59
    toluene 2.13
    isobutanol 20.59
    1,4-dioxane 51.45
    methyl acetate 10.35
    THF 71.44
    2-butanone 11.92
    n-pentanol 26.24
    sec-butanol 21.85
    n-hexane 1.85
    ethylene glycol 55.47
    NMP 122.78
    cyclohexane 1.61
    DMSO 77.66
    n-butyl acetate 15.12
    n-octanol 27.49
    chloroform 6.75
    n-propyl acetate 10.37
    acetic acid 106.4
    dichloromethane 5.85
    cyclohexanone 37.42
    propylene glycol 39.29
    isopropyl acetate 9.84
    DMAc 44.18
    2-ethoxyethanol 69.58
    isopentanol 25.36
    n-heptane 2.39
    ethyl formate 12.76
    1,2-dichloroethane 5.16
    n-hexanol 39.01
    2-methoxyethanol 98.63
    isobutyl acetate 8.04
    tetrachloromethane 4.16
    n-pentyl acetate 20.89
    transcutol 165.39
    n-heptanol 33.4
    ethylbenzene 3.17
    MIBK 18.0
    2-propoxyethanol 72.73
    tert-butanol 45.62
    MTBE 12.49
    2-butoxyethanol 59.91
    propionic acid 39.53
    o-xylene 5.0
    formic acid 127.66
    diethyl ether 7.08
    m-xylene 5.15
    p-xylene 4.75
    chlorobenzene 4.53
    dimethyl carbonate 5.36
    n-octane 1.47
    formamide 108.69
    cyclopentanone 53.3
    2-pentanone 13.7
    anisole 11.67
    cyclopentyl methyl ether 24.67
    gamma-butyrolactone 70.14
    1-methoxy-2-propanol 64.25
    pyridine 12.75
    3-pentanone 7.26
    furfural 70.88
    n-dodecane 1.35
    diethylene glycol 88.09
    diisopropyl ether 5.35
    tert-amyl alcohol 41.62
    acetylacetone 25.02
    n-hexadecane 1.41
    acetophenone 19.17
    methyl propionate 8.9
    isopentyl acetate 17.79
    trichloroethylene 11.92
    n-nonanol 24.62
    cyclohexanol 27.43
    benzyl alcohol 17.84
    2-ethylhexanol 22.55
    isooctanol 26.56
    dipropyl ether 9.29
    1,2-dichlorobenzene 7.67
    ethyl lactate 13.86
    propylene carbonate 33.07
    n-methylformamide 34.93
    2-pentanol 17.0
    n-pentane 1.38
    1-propoxy-2-propanol 44.49
    1-methoxy-2-propyl acetate 26.45
    2-(2-methoxypropoxy) propanol 63.01
    mesitylene 5.62
    ε-caprolactone 42.74
    p-cymene 6.45
    epichlorohydrin 37.18
    1,1,1-trichloroethane 5.81
    2-aminoethanol 73.81
    morpholine-4-carbaldehyde 98.58
    sulfolane 129.17
    2,2,4-trimethylpentane 1.84
    2-methyltetrahydrofuran 42.41
    n-hexyl acetate 29.88
    isooctane 1.8
    2-(2-butoxyethoxy)ethanol 80.19
    sec-butyl acetate 8.37
    tert-butyl acetate 23.31
    decalin 2.14
    glycerin 91.03
    diglyme 103.17
    acrylic acid 45.03
    isopropyl myristate 13.22
    n-butyric acid 35.56
    acetyl acetate 10.0
    di(2-ethylhexyl) phthalate 20.36
    ethyl propionate 7.97
    nitromethane 56.8
    1,2-diethoxyethane 23.06
    benzonitrile 10.88
    trioctyl phosphate 17.15
    1-bromopropane 2.33
    gamma-valerolactone 89.39
    n-decanol 18.24
    triethyl phosphate 11.48
    4-methyl-2-pentanol 18.17
    propionitrile 4.32
    vinylene carbonate 24.63
    1,1,2-trichlorotrifluoroethane 61.58
    DMS 16.69
    cumene 5.24
    2-octanol 20.91
    2-hexanone 15.47
    octyl acetate 17.95
    limonene 9.63
    1,2-dimethoxyethane 53.93
    ethyl orthosilicate 11.43
    tributyl phosphate 16.7
    diacetone alcohol 57.95
    N,N-dimethylaniline 14.75
    acrylonitrile 7.21
    aniline 9.54
    1,3-propanediol 76.44
    bromobenzene 2.76
    dibromomethane 3.91
    1,1,2,2-tetrachloroethane 12.42
    2-methyl-cyclohexyl acetate 23.16
    tetrabutyl urea 24.04
    diisobutyl methanol 14.81
    2-phenylethanol 27.13
    styrene 2.73
    dioctyl adipate 21.64
    dimethyl sulfate 17.72
    ethyl butyrate 11.82
    methyl lactate 19.48
    butyl lactate 26.88
    diethyl carbonate 7.59
    propanediol butyl ether 61.35
    triethyl orthoformate 12.23
    p-tert-butyltoluene 6.75
    methyl 4-tert-butylbenzoate 43.82
    morpholine 53.31
    tert-butylamine 22.3
    n-dodecanol 13.29
    dimethoxymethane 23.34
    ethylene carbonate 18.22
    cyrene 64.73
    2-ethoxyethyl acetate 29.28
    2-ethylhexyl acetate 13.63
    1,2,4-trichlorobenzene 11.32
    4-methylpyridine 11.71
    dibutyl ether 11.15
    2,6-dimethyl-4-heptanol 14.81
    DEF 20.14
    dimethyl isosorbide 92.21
    tetrachloroethylene 14.96
    eugenol 47.59
    triacetin 33.55
    span 80 59.8
    1,4-butanediol 38.25
    1,1-dichloroethane 3.06
    2-methyl-1-pentanol 26.29
    methyl formate 22.68
    2-methyl-1-butanol 21.41
    n-decane 2.07
    butyronitrile 6.08
    3,7-dimethyl-1-octanol 22.91
    1-chlorooctane 7.58
    1-chlorotetradecane 3.49
    n-nonane 1.89
    undecane 1.6
    tert-butylcyclohexane 2.76
    cyclooctane 1.1
    cyclopentanol 42.03
    tetrahydropyran 20.26
    tert-amyl methyl ether 14.56
    2,5,8-trioxanonane 95.59
    1-hexene 4.1
    2-isopropoxyethanol 44.18
    2,2,2-trifluoroethanol 49.73
    methyl butyrate 12.91

    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