Thioacetic acid

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  • Identifiers

    CAS number
    507-09-5

    Molecular formula
    C2H4OS

    SMILES
    CC(=O)S

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Sulfurous 89.45%
    Meaty 72.05%
    Fruity 66.44%
    Tropical 58.8%
    Roasted 53.08%
    Onion 49.51%
    Cheesy 46.63%
    Savory 44.07%
    Burnt 43.57%
    Garlic 43.51%

    Scent© AI

  • Properties

    XLogP3-AA
    0.3

    Molecular weight
    76.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • 17 °C

    Boiling point

    • 88.00 °C. @ 760.00 mm Hg

    Flash point est.
    13.0 ˚C

    Solubility expt.

    • Soluble in water, diethyl ether and acetone
    • Soluble (in ethanol)

  • Synonyms

    • THIOACETIC ACID
    • 507-09-5
    • Ethanethioic acid
    • Ethanethioic S-acid
    • Thiacetic acid
    • Thiolacetic acid
    • Ethanethiolic acid
    • Thioacetic S-acid
    • Acetyl mercaptan
    • Thionoacetic acid
    • Methanecarbothiolic acid
    • CH3COSH
    • Kyselina thiooctova
    • Acetic acid, thio-
    • USAF EK-P-737
    • Kyselina thiooctova [Czech]
    • PS92MLC0FQ
    • EINECS 208-063-8
    • UN2436
    • ethanethioic O-acid
    • AI3-37251
    • MFCD00004853
    • Potassium thioacetate
    • THIOACETIC ACID [MI]
    • THIOACETIC ACID [FHFI]
    • DTXSID5060142
    • FEMA NO. 4210
    • EC 208-063-8
    • Thioacetic acid, 96%
    • 10387-40-3
    • UNII-PS92MLC0FQ
    • Thioessigsaeure
    • thio-acetic acid
    • Thiolacetic acid?
    • Ethanethioic Sacid
    • Acetic acid, thio
    • Acetyl-[acp]
    • MeCOSH
    • sulfonium methyl ketone
    • Ethanethioic S-acid #
    • HSCOCH3
    • MONOTHIOACETIC ACID
    • Thioacetic acid [UN2436] [Flammable liquid]
    • Acetyl-[acyl-carrier protein]
    • DTXCID9040895
    • CHEBI:16555
    • CHEBI:26952
    • CHEBI:46800
    • AKOS000121884
    • AKOS015995385
    • FT01430
    • UN 2436
    • NS00001918
    • RACECADOTRIL IMPURITY A [EP IMPURITY]
    • T0189
    • EN300-29204
    • A11392
    • C01857
    • C03939
    • Thioacetic acid [UN2436] [Flammable liquid]
    • Q423721
    • Racecadotril impurity A, European Pharmacopoeia (EP) Reference Standard
    • 208-063-8

  • Applications

    Thioacetic acid (CAS 507-09-5) is a versatile sulfur reagent widely applied in organic synthesis: it converts alkyl halides or alcohol derivatives into stable thioacetates that can be smoothly hydrolyzed or reduced to free thiols, thereby streamlining the preparation of cysteine derivatives, glutathione analogues, sulfur-containing pharmaceuticals, electronic materials and corrosion inhibitors; in Mitsunobu or SN2 reactions it acts as a strong nucleophile and serves as a convenient protecting/activating group for SH in peptide chemistry; it is also used for polymer surface functionalisation, rubber vulcanization promotion, dye manufacture, heavy-metal chelation and as a key intermediate in numerous academic and industrial routes, but it must be handled in closed, well-ventilated systems because of its pungent odour, corrosive nature and potential to release toxic gases upon decomposition.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1037.61
    methanol 1913.49
    isopropanol 704.62
    water 2575.92
    ethyl acetate 310.11
    n-propanol 603.76
    acetone 1067.61
    n-butanol 442.27
    acetonitrile 711.26
    DMF 2102.8
    toluene 68.78
    isobutanol 397.97
    1,4-dioxane 656.08
    methyl acetate 465.5
    THF 613.61
    2-butanone 514.54
    n-pentanol 297.51
    sec-butanol 432.52
    n-hexane 46.57
    ethylene glycol 1134.42
    NMP 915.43
    cyclohexane 32.11
    DMSO 862.75
    n-butyl acetate 121.46
    n-octanol 188.61
    chloroform 333.2
    n-propyl acetate 190.96
    acetic acid 1223.42
    dichloromethane 284.13
    cyclohexanone 312.86
    propylene glycol 922.91
    isopropyl acetate 175.77
    DMAc 1504.41
    2-ethoxyethanol 732.58
    isopentanol 290.59
    n-heptane 34.08
    ethyl formate 349.41
    1,2-dichloroethane 186.93
    n-hexanol 236.76
    2-methoxyethanol 1411.31
    isobutyl acetate 125.1
    tetrachloromethane 100.45
    n-pentyl acetate 109.99
    transcutol 885.75
    n-heptanol 147.11
    ethylbenzene 45.76
    MIBK 177.87
    2-propoxyethanol 592.28
    tert-butanol 615.18
    MTBE 300.23
    2-butoxyethanol 345.0
    propionic acid 555.52
    o-xylene 71.73
    formic acid 1331.51
    diethyl ether 315.19
    m-xylene 63.37
    p-xylene 63.32
    chlorobenzene 81.0
    dimethyl carbonate 274.6
    n-octane 16.39
    formamide 1189.91
    cyclopentanone 439.37
    2-pentanone 335.58
    anisole 193.67
    cyclopentyl methyl ether 232.1
    gamma-butyrolactone 464.28
    1-methoxy-2-propanol 901.16
    pyridine 293.15
    3-pentanone 274.04
    furfural 464.88
    n-dodecane 16.91
    diethylene glycol 783.01
    diisopropyl ether 87.56
    tert-amyl alcohol 404.25
    acetylacetone 356.56
    n-hexadecane 17.05
    acetophenone 183.39
    methyl propionate 344.13
    isopentyl acetate 99.33
    trichloroethylene 285.63
    n-nonanol 160.29
    cyclohexanol 254.1
    benzyl alcohol 215.36
    2-ethylhexanol 111.44
    isooctanol 105.19
    dipropyl ether 132.18
    1,2-dichlorobenzene 74.12
    ethyl lactate 194.05
    propylene carbonate 238.35
    n-methylformamide 1118.51
    2-pentanol 266.82
    n-pentane 54.05
    1-propoxy-2-propanol 338.38
    1-methoxy-2-propyl acetate 188.0
    2-(2-methoxypropoxy) propanol 317.06
    mesitylene 40.3
    ε-caprolactone 273.72
    p-cymene 38.65
    epichlorohydrin 381.75
    1,1,1-trichloroethane 185.41
    2-aminoethanol 1106.18
    morpholine-4-carbaldehyde 1029.85
    sulfolane 404.38
    2,2,4-trimethylpentane 23.88
    2-methyltetrahydrofuran 349.45
    n-hexyl acetate 178.62
    isooctane 17.22
    2-(2-butoxyethoxy)ethanol 406.6
    sec-butyl acetate 114.7
    tert-butyl acetate 162.61
    decalin 18.78
    glycerin 1185.28
    diglyme 633.74
    acrylic acid 622.11
    isopropyl myristate 78.21
    n-butyric acid 412.01
    acetyl acetate 209.33
    di(2-ethylhexyl) phthalate 100.89
    ethyl propionate 187.69
    nitromethane 1326.89
    1,2-diethoxyethane 204.69
    benzonitrile 157.2
    trioctyl phosphate 73.04
    1-bromopropane 116.4
    gamma-valerolactone 667.28
    n-decanol 121.42
    triethyl phosphate 71.21
    4-methyl-2-pentanol 141.7
    propionitrile 336.51
    vinylene carbonate 248.06
    1,1,2-trichlorotrifluoroethane 532.73
    DMS 171.2
    cumene 40.39
    2-octanol 101.83
    2-hexanone 227.23
    octyl acetate 118.53
    limonene 59.18
    1,2-dimethoxyethane 793.96
    ethyl orthosilicate 71.34
    tributyl phosphate 81.61
    diacetone alcohol 319.31
    N,N-dimethylaniline 160.45
    acrylonitrile 440.67
    aniline 201.42
    1,3-propanediol 887.16
    bromobenzene 50.13
    dibromomethane 173.04
    1,1,2,2-tetrachloroethane 239.12
    2-methyl-cyclohexyl acetate 94.87
    tetrabutyl urea 129.19
    diisobutyl methanol 60.39
    2-phenylethanol 164.25
    styrene 61.94
    dioctyl adipate 118.06
    dimethyl sulfate 334.4
    ethyl butyrate 113.29
    methyl lactate 372.87
    butyl lactate 139.58
    diethyl carbonate 86.97
    propanediol butyl ether 400.98
    triethyl orthoformate 93.17
    p-tert-butyltoluene 40.72
    methyl 4-tert-butylbenzoate 180.69
    morpholine 737.56
    tert-butylamine 347.3
    n-dodecanol 94.64
    dimethoxymethane 851.65
    ethylene carbonate 205.3
    cyrene 286.35
    2-ethoxyethyl acetate 179.48
    2-ethylhexyl acetate 75.47
    1,2,4-trichlorobenzene 109.52
    4-methylpyridine 266.77
    dibutyl ether 109.94
    2,6-dimethyl-4-heptanol 60.39
    DEF 467.86
    dimethyl isosorbide 300.14
    tetrachloroethylene 182.09
    eugenol 236.58
    triacetin 227.58
    span 80 275.95
    1,4-butanediol 456.45
    1,1-dichloroethane 234.47
    2-methyl-1-pentanol 198.07
    methyl formate 809.9
    2-methyl-1-butanol 297.18
    n-decane 25.02
    butyronitrile 261.2
    3,7-dimethyl-1-octanol 132.91
    1-chlorooctane 67.6
    1-chlorotetradecane 34.45
    n-nonane 23.99
    undecane 19.7
    tert-butylcyclohexane 22.6
    cyclooctane 13.41
    cyclopentanol 354.33
    tetrahydropyran 340.62
    tert-amyl methyl ether 218.68
    2,5,8-trioxanonane 473.18
    1-hexene 106.26
    2-isopropoxyethanol 435.16
    2,2,2-trifluoroethanol 728.08
    methyl butyrate 231.03

    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