Methyl Thioglycolate

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  • Identifiers

    CAS number
    2365-48-2

    Molecular formula
    C3H6O2S

    SMILES
    COC(=O)CS

    Safety labels

    Flammable
    Flammable

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fruity 82.52%
    Sulfurous 79.65%
    Green 65.93%
    Tropical 61.73%
    Meaty 49.3%
    Vegetable 46.34%
    Alliaceous 45.97%
    Onion 45.33%
    Cheesy 40.37%
    Roasted 35.73%

    Scent© AI

  • Properties

    XLogP3-AA
    0.4

    Molecular weight
    106.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point

    • 148 °C

    Flash point est.
    48.07 ˚C

  • Synonyms

    • METHYL THIOGLYCOLATE
    • 2365-48-2
    • Methyl mercaptoacetate
    • methyl 2-sulfanylacetate
    • Methyl 2-mercaptoacetate
    • Thioglycolic acid methyl ester
    • Methylthioglycolate
    • Acetic acid, mercapto-, methyl ester
    • Acetic acid, 2-mercapto-, methyl ester
    • Methanethiol, methoxy-
    • Methylmercaptoacetate
    • USAF EK-7119
    • Mercaptoacetic acid methyl ester
    • Thioglykolsaeure-methylester
    • NSC 75117
    • HSDB 2705
    • 2-mercaptoacetic acid methyl ester
    • EINECS 219-121-7
    • Thioglykolsaeure-methylester [German]
    • Methyl .alpha.-mercaptoacetate
    • BRN 0506259
    • O1608LA9EL
    • Methyl sulfanylacetate
    • DTXSID0033673
    • MFCD00004873
    • NSC-75117
    • DTXCID8013673
    • mercapto-acetic acid methyl ester
    • METHYL THIOGLYCOLATE [MI]
    • EC 219-121-7
    • METHYL THIOGLYCOLATE [HSDB]
    • 4-03-00-00614 (Beilstein Handbook Reference)
    • UNII-O1608LA9EL
    • Methyl 2mercaptoacetate
    • methylthioglycolic ester
    • methyl-2-mercaptoacetate
    • Methyl sulfanylacetate #
    • thioglycolate methyl ester
    • Thioglykolsaeuremethylester
    • Methyl 2-mercapto-acetate
    • methyl 2-sulfanylethanoate
    • Methyl alpha-mercaptoacetate
    • Methyl thioglycolate, 95%
    • WLN: SH1VO1
    • SCHEMBL38833
    • mercapto-acetic acid methylester
    • CHEMBL1341329
    • MKIJJIMOAABWGF-UHFFFAOYSA-
    • Methyl ester of thioglycolic acid
    • METHYL THIOGLYCOLATE [INCI]
    • NSC75117
    • Acetic acid, mercapto, methyl ester
    • Tox21_201130
    • BBL011360
    • STL146452
    • AKOS000120592
    • FM36432
    • NCGC00090993-01
    • NCGC00090993-02
    • NCGC00258682-01
    • BP-13329
    • CAS-2365-48-2
    • NS00001979
    • T1287
    • EN300-21066
    • E78832
    • A816826
    • Q27285190
    • F0001-0817
    • InChI=1/C3H6O2S/c1-5-3(4)2-6/h6H,2H2,1H3
    • ethyl 2-(tert-butyloxycarbonylamino)-2-pentafluorophenylacetate
    • Mercaptoacetic acid methyl ester;Thioglycolic acid methyl ester
    • 219-121-7

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 415.19
    methanol 740.79
    isopropanol 249.2
    water 167.38
    ethyl acetate 132.94
    n-propanol 228.08
    acetone 476.74
    n-butanol 184.55
    acetonitrile 340.76
    DMF 697.97
    toluene 41.65
    isobutanol 151.37
    1,4-dioxane 290.45
    methyl acetate 191.99
    THF 323.29
    2-butanone 220.08
    n-pentanol 151.79
    sec-butanol 158.42
    n-hexane 26.57
    ethylene glycol 203.01
    NMP 513.72
    cyclohexane 24.94
    DMSO 766.48
    n-butyl acetate 62.56
    n-octanol 58.12
    chloroform 216.81
    n-propyl acetate 92.27
    acetic acid 609.39
    dichloromethane 275.04
    cyclohexanone 195.97
    propylene glycol 111.71
    isopropyl acetate 74.67
    DMAc 530.35
    2-ethoxyethanol 363.93
    isopentanol 143.4
    n-heptane 15.6
    ethyl formate 166.4
    1,2-dichloroethane 175.67
    n-hexanol 72.51
    2-methoxyethanol 532.89
    isobutyl acetate 49.39
    tetrachloromethane 60.7
    n-pentyl acetate 58.65
    transcutol 502.71
    n-heptanol 45.32
    ethylbenzene 30.17
    MIBK 89.25
    2-propoxyethanol 168.46
    tert-butanol 261.06
    MTBE 152.59
    2-butoxyethanol 111.28
    propionic acid 183.1
    o-xylene 41.36
    formic acid 601.35
    diethyl ether 173.75
    m-xylene 34.98
    p-xylene 44.91
    chlorobenzene 69.08
    dimethyl carbonate 62.58
    n-octane 8.16
    formamide 718.68
    cyclopentanone 269.97
    2-pentanone 163.48
    anisole 104.87
    cyclopentyl methyl ether 130.87
    gamma-butyrolactone 302.85
    1-methoxy-2-propanol 263.37
    pyridine 180.94
    3-pentanone 115.14
    furfural 372.88
    n-dodecane 6.36
    diethylene glycol 210.86
    diisopropyl ether 42.44
    tert-amyl alcohol 181.28
    acetylacetone 190.89
    n-hexadecane 6.9
    acetophenone 108.4
    methyl propionate 115.36
    isopentyl acetate 53.75
    trichloroethylene 276.87
    n-nonanol 50.23
    cyclohexanol 116.74
    benzyl alcohol 100.37
    2-ethylhexanol 43.82
    isooctanol 38.26
    dipropyl ether 59.78
    1,2-dichlorobenzene 71.33
    ethyl lactate 58.84
    propylene carbonate 123.16
    n-methylformamide 417.24
    2-pentanol 105.7
    n-pentane 29.83
    1-propoxy-2-propanol 95.08
    1-methoxy-2-propyl acetate 71.35
    2-(2-methoxypropoxy) propanol 127.47
    mesitylene 26.19
    ε-caprolactone 161.17
    p-cymene 23.26
    epichlorohydrin 284.41
    1,1,1-trichloroethane 119.69
    2-aminoethanol 259.31
    morpholine-4-carbaldehyde 439.22
    sulfolane 341.99
    2,2,4-trimethylpentane 13.76
    2-methyltetrahydrofuran 217.23
    n-hexyl acetate 80.01
    isooctane 8.35
    2-(2-butoxyethoxy)ethanol 168.1
    sec-butyl acetate 55.11
    tert-butyl acetate 85.34
    decalin 12.73
    glycerin 205.75
    diglyme 323.06
    acrylic acid 210.71
    isopropyl myristate 38.55
    n-butyric acid 168.62
    acetyl acetate 89.79
    di(2-ethylhexyl) phthalate 46.2
    ethyl propionate 75.3
    nitromethane 740.34
    1,2-diethoxyethane 135.03
    benzonitrile 107.52
    trioctyl phosphate 31.47
    1-bromopropane 95.85
    gamma-valerolactone 376.63
    n-decanol 37.78
    triethyl phosphate 39.95
    4-methyl-2-pentanol 58.21
    propionitrile 157.51
    vinylene carbonate 122.46
    1,1,2-trichlorotrifluoroethane 228.36
    DMS 68.82
    cumene 27.09
    2-octanol 35.09
    2-hexanone 116.93
    octyl acetate 47.58
    limonene 35.57
    1,2-dimethoxyethane 428.28
    ethyl orthosilicate 40.5
    tributyl phosphate 39.28
    diacetone alcohol 131.82
    N,N-dimethylaniline 88.22
    acrylonitrile 204.1
    aniline 93.83
    1,3-propanediol 280.22
    bromobenzene 50.14
    dibromomethane 161.23
    1,1,2,2-tetrachloroethane 195.1
    2-methyl-cyclohexyl acetate 55.33
    tetrabutyl urea 61.81
    diisobutyl methanol 32.7
    2-phenylethanol 64.1
    styrene 41.53
    dioctyl adipate 66.32
    dimethyl sulfate 120.87
    ethyl butyrate 63.87
    methyl lactate 83.1
    butyl lactate 54.52
    diethyl carbonate 45.97
    propanediol butyl ether 106.02
    triethyl orthoformate 50.09
    p-tert-butyltoluene 21.75
    methyl 4-tert-butylbenzoate 90.13
    morpholine 302.71
    tert-butylamine 152.33
    n-dodecanol 30.42
    dimethoxymethane 296.98
    ethylene carbonate 93.44
    cyrene 137.58
    2-ethoxyethyl acetate 94.72
    2-ethylhexyl acetate 42.5
    1,2,4-trichlorobenzene 85.89
    4-methylpyridine 172.09
    dibutyl ether 62.39
    2,6-dimethyl-4-heptanol 32.7
    DEF 219.92
    dimethyl isosorbide 171.25
    tetrachloroethylene 169.27
    eugenol 107.87
    triacetin 102.34
    span 80 97.56
    1,4-butanediol 153.48
    1,1-dichloroethane 140.02
    2-methyl-1-pentanol 123.38
    methyl formate 309.44
    2-methyl-1-butanol 134.92
    n-decane 10.7
    butyronitrile 158.74
    3,7-dimethyl-1-octanol 53.88
    1-chlorooctane 32.58
    1-chlorotetradecane 14.82
    n-nonane 10.86
    undecane 7.9
    tert-butylcyclohexane 12.66
    cyclooctane 9.4
    cyclopentanol 157.4
    tetrahydropyran 171.25
    tert-amyl methyl ether 116.05
    2,5,8-trioxanonane 239.85
    1-hexene 59.93
    2-isopropoxyethanol 194.34
    2,2,2-trifluoroethanol 253.99
    methyl butyrate 112.36

    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