Thioglycolic Acid

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  • Identifiers

    CAS number
    68-11-1

    Molecular formula
    C2H4O2S

    SMILES
    C(C(=O)O)S

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

  • Odor profile

    Sulfurous 81.64%
    Meaty 58.76%
    Savory 43.41%
    Roasted 43.0%
    Odorless 35.25%
    Onion 34.02%
    Alliaceous 32.9%
    Cheesy 31.48%
    Cooked 30.64%
    Garlic 28.85%

    Scent© AI

  • Properties

    XLogP3-AA
    0.1

    Molecular weight
    92.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • 2.3 °F (NTP, 1992)
    • -16.5 °C
    • 2.3 °F
    • 2 °F

    Boiling point

    • 248 °F at 20 mmHg (NTP, 1992)
    • 120 °C at 20 mm Hg
    • 120 °C
    • 248 °F at 20 mmHg

    Flash point est.
    101.24 ˚C

    Flash point expt.

    • 235 °F (NTP, 1992)
    • 126 °C, open cup
    • 130 °C (Closed cup)
    • 126 °C o.c.
    • 235 °F
    • >230 °F

    Solubility expt.

    • greater than or equal to 100 mg/mL at 64 °F (NTP, 1992)
    • Miscible with water
    • Miscible with chloroform, benzene and many other organic solvents
    • Miscible with ethanol, and ethyl ether; slightly soluble in chloroform
    • Miscible with mono- and polyalcohols, ethers, ketones, esters, chlorinated hydrocarbons, and aromatic hydrocarbons, but not with aliphatic hydrocarbons.
    • Solubility in water: miscible
    • Miscible

  • Synonyms

    • mercaptoacetic acid
    • thioglycolic acid
    • 68-11-1
    • Acetic acid, mercapto-
    • 2-Thioglycolic acid
    • Sulfanylacetic acid
    • 2-Mercaptoacetic acid
    • Thioglycollic acid
    • 2-sulfanylacetic acid
    • Thiovanic acid
    • Mercaptoessigsaeure
    • Glycolic acid, thio-
    • Acide thioglycolique
    • Glycolic acid, 2-thio-
    • USAF CB-35
    • Acetic acid, 2-mercapto-
    • Kyselina thioglykolova
    • Thioglykolsaeure
    • Kyselina merkaptooctova
    • alpha-Mercaptoacetic acid
    • Merkaptoessigsaeure
    • mercapto acetic acid
    • mercapto-acetic acid
    • Mercaptoethanoic acid
    • NSC 1894
    • Acide thioglycolique [French]
    • Kyselina thioglykolova [Czech]
    • CCRIS 4873
    • Kyselina merkaptooctova [Czech]
    • HSDB 2702
    • NSC-1894
    • .alpha.-Mercaptoacetic acid
    • EINECS 200-677-4
    • UN1940
    • UNII-7857H94KHM
    • BRN 0506166
    • DTXSID8026141
    • CHEBI:30065
    • AI3-24151
    • 7857H94KHM
    • MFCD00004876
    • Thioglycolic Acid (~90%)
    • THIOGLYCOLIC ACID [MI]
    • CHEMBL116455
    • DTXCID406141
    • EC 200-677-4
    • MERCAPTOACETIC ACID [HSDB]
    • THIOGLYCOLIC ACID [WHO-DD]
    • THIOGLYCOLLIC ACID [MART.]
    • 4-03-00-00600 (Beilstein Handbook Reference)
    • thioglycolicacid
    • Acide thioglycolique (French)
    • Kyselina thioglykolova (Czech)
    • Kyselina merkaptooctova (Czech)
    • THIOGLYCOLLIC ACID (MART.)
    • CAS-68-11-1
    • mercaptoactic acid
    • 2Thioglycolic acid
    • 2-mercaptoaceticacid
    • 2mercaptoacetic acid
    • Glycolic acid, thio
    • Acetic acid, mercapto
    • Sulfanylacetic acid #
    • Glycolic acid, 2thio
    • mercaptoacetic acid (thioglycolic acid)
    • HSCH2COOH
    • 2-mercaptoethanoic acid
    • Ethanethiol-2-acid-1
    • THIOGYCOLLIC ACID
    • HSCH2CO2H
    • WLN: SH1VQ
    • SULFHYDRYLACETIC ACID
    • Thioglycolic acid (ACGIH)
    • Thioglycolic acid, >=97%
    • Thioglycolic acid, >=98%
    • Thioglycolic acid, >=99%
    • THIOGLYCOLIC ACID [INCI]
    • Thioglycolic acid, LR, ~80%
    • CWERGRDVMFNCDR-UHFFFAOYSA-
    • NSC1894
    • STR00166
    • Tox21_201717
    • Tox21_303306
    • ALPHA-ACETIC ACID, MERCAPTO-
    • BDBM50336509
    • MSK000892
    • STL264219
    • AKOS000118940
    • DB15429
    • FT47141
    • Thioglycolic acid, for synthesis, 97%
    • UN 1940
    • NCGC00249103-01
    • NCGC00257153-01
    • NCGC00259266-01
    • NCI60_001579
    • DB-002789
    • Thioglycolic acid [UN1940] [Corrosive]
    • M0052
    • NS00003173
    • EN300-19250
    • C02086
    • E78850
    • Q414738
    • InChI=1/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4)
    • 200-677-4

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 124.2
    methanol 251.71
    isopropanol 63.38
    water 1141.41
    ethyl acetate 11.43
    n-propanol 61.11
    acetone 106.93
    n-butanol 43.14
    acetonitrile 29.59
    DMF 556.86
    toluene 1.41
    isobutanol 32.92
    1,4-dioxane 43.09
    methyl acetate 22.66
    THF 65.08
    2-butanone 29.18
    n-pentanol 29.99
    sec-butanol 31.74
    n-hexane 2.3
    ethylene glycol 166.18
    NMP 190.23
    cyclohexane 1.58
    DMSO 291.2
    n-butyl acetate 7.76
    n-octanol 14.09
    chloroform 3.91
    n-propyl acetate 11.5
    acetic acid 159.89
    dichloromethane 6.15
    cyclohexanone 27.66
    propylene glycol 94.41
    isopropyl acetate 8.75
    DMAc 264.08
    2-ethoxyethanol 106.97
    isopentanol 31.76
    n-heptane 1.84
    ethyl formate 45.94
    1,2-dichloroethane 6.93
    n-hexanol 16.49
    2-methoxyethanol 212.69
    isobutyl acetate 5.85
    tetrachloromethane 2.48
    n-pentyl acetate 10.87
    transcutol 128.82
    n-heptanol 15.21
    ethylbenzene 1.71
    MIBK 14.28
    2-propoxyethanol 53.18
    tert-butanol 69.83
    MTBE 14.36
    2-butoxyethanol 47.84
    propionic acid 56.87
    o-xylene 2.65
    formic acid 331.03
    diethyl ether 12.95
    m-xylene 1.92
    p-xylene 2.58
    chlorobenzene 1.58
    dimethyl carbonate 18.54
    n-octane 0.98
    formamide 383.5
    cyclopentanone 52.81
    2-pentanone 22.76
    anisole 8.66
    cyclopentyl methyl ether 14.79
    gamma-butyrolactone 62.63
    1-methoxy-2-propanol 102.9
    pyridine 14.51
    3-pentanone 12.66
    furfural 73.66
    n-dodecane 0.8
    diethylene glycol 93.52
    diisopropyl ether 3.86
    tert-amyl alcohol 38.0
    acetylacetone 32.9
    n-hexadecane 0.82
    acetophenone 12.72
    methyl propionate 15.63
    isopentyl acetate 6.62
    trichloroethylene 7.32
    n-nonanol 12.6
    cyclohexanol 16.81
    benzyl alcohol 14.92
    2-ethylhexanol 7.77
    isooctanol 10.97
    dipropyl ether 8.18
    1,2-dichlorobenzene 2.11
    ethyl lactate 16.8
    propylene carbonate 25.59
    n-methylformamide 240.75
    2-pentanol 18.97
    n-pentane 2.19
    1-propoxy-2-propanol 30.26
    1-methoxy-2-propyl acetate 12.56
    2-(2-methoxypropoxy) propanol 42.29
    mesitylene 2.06
    ε-caprolactone 26.55
    p-cymene 2.2
    epichlorohydrin 33.74
    1,1,1-trichloroethane 3.32
    2-aminoethanol 174.75
    morpholine-4-carbaldehyde 155.65
    sulfolane 88.86
    2,2,4-trimethylpentane 0.97
    2-methyltetrahydrofuran 22.79
    n-hexyl acetate 13.45
    isooctane 0.82
    2-(2-butoxyethoxy)ethanol 60.55
    sec-butyl acetate 5.56
    tert-butyl acetate 11.37
    decalin 0.93
    glycerin 166.7
    diglyme 96.47
    acrylic acid 72.85
    isopropyl myristate 6.17
    n-butyric acid 43.31
    acetyl acetate 10.28
    di(2-ethylhexyl) phthalate 10.99
    ethyl propionate 8.61
    nitromethane 179.48
    1,2-diethoxyethane 19.96
    benzonitrile 6.71
    trioctyl phosphate 8.98
    1-bromopropane 3.04
    gamma-valerolactone 92.54
    n-decanol 9.5
    triethyl phosphate 6.27
    4-methyl-2-pentanol 12.17
    propionitrile 13.28
    vinylene carbonate 24.56
    1,1,2-trichlorotrifluoroethane 55.36
    DMS 10.01
    cumene 2.31
    2-octanol 8.95
    2-hexanone 15.09
    octyl acetate 9.33
    limonene 3.11
    1,2-dimethoxyethane 113.51
    ethyl orthosilicate 6.06
    tributyl phosphate 8.87
    diacetone alcohol 37.74
    N,N-dimethylaniline 12.55
    acrylonitrile 22.42
    aniline 8.1
    1,3-propanediol 140.42
    bromobenzene 0.85
    dibromomethane 3.57
    1,1,2,2-tetrachloroethane 6.87
    2-methyl-cyclohexyl acetate 7.53
    tetrabutyl urea 17.46
    diisobutyl methanol 5.8
    2-phenylethanol 10.0
    styrene 1.89
    dioctyl adipate 12.28
    dimethyl sulfate 36.23
    ethyl butyrate 7.96
    methyl lactate 36.34
    butyl lactate 18.57
    diethyl carbonate 5.57
    propanediol butyl ether 54.79
    triethyl orthoformate 7.24
    p-tert-butyltoluene 2.37
    methyl 4-tert-butylbenzoate 22.6
    morpholine 59.87
    tert-butylamine 28.54
    n-dodecanol 7.28
    dimethoxymethane 101.86
    ethylene carbonate 19.74
    cyrene 41.98
    2-ethoxyethyl acetate 17.56
    2-ethylhexyl acetate 4.67
    1,2,4-trichlorobenzene 2.69
    4-methylpyridine 12.94
    dibutyl ether 7.62
    2,6-dimethyl-4-heptanol 5.8
    DEF 51.82
    dimethyl isosorbide 42.35
    tetrachloroethylene 7.4
    eugenol 29.63
    triacetin 19.39
    span 80 33.32
    1,4-butanediol 66.37
    1,1-dichloroethane 3.94
    2-methyl-1-pentanol 20.43
    methyl formate 157.7
    2-methyl-1-butanol 26.79
    n-decane 1.15
    butyronitrile 14.25
    3,7-dimethyl-1-octanol 9.99
    1-chlorooctane 2.9
    1-chlorotetradecane 1.59
    n-nonane 1.13
    undecane 0.93
    tert-butylcyclohexane 1.02
    cyclooctane 0.79
    cyclopentanol 33.85
    tetrahydropyran 15.69
    tert-amyl methyl ether 11.24
    2,5,8-trioxanonane 79.49
    1-hexene 4.69
    2-isopropoxyethanol 47.88
    2,2,2-trifluoroethanol 98.51
    methyl butyrate 17.88

    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