Isopropyl Thioglycolate

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  • Identifiers

    CAS number
    7383-61-1

    Molecular formula
    C5H10O2S

    SMILES
    CC(C)OC(=O)CS

    Safety labels

  • Odor profile

    Fragrance
    Fruity 87.1%
    Sulfurous 69.99%
    Tropical 64.42%
    Green 45.76%
    Cheesy 44.68%
    Meaty 37.3%
    Roasted 30.38%
    Onion 29.53%
    Pineapple 29.3%
    Vegetable 28.88%

     

    Flavor
    Fruity 69.08%
    Tropical 34.97%
    Cheese 30.96%
    Berry 25.76%
    Fatty 25.37%
    Pineapple 25.27%
    Sulfury 25.09%
    Ripe 24.24%
    Sweet 24.2%
    Sour 24.11%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    8.56 (weak base)

    Molecular weight
    134.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    182°C

    Flash point

    • 50.82 ˚C est.

  • Synonyms

    • 7383-61-1
    • ISOPROPYL THIOGLYCOLATE
    • LZ0JRQ01AV
    • EINECS 230-956-6
    • Acetic acid, mercapto-, isopropyl ester
    • Acetic acid, mercapto-, 1-methylethyl ester
    • DTXSID50224330
    • THIOGLYCOLIC ACID ISOPROPYL ESTER
    • ACETIC ACID, 2-MERCAPTO-, 1-METHYLETHYL ESTER
    • RefChem:792224
    • DTXCID50146821
    • ISOPROPYL THIOGLYCOLATE [INCI]
    • propan-2-yl 2-sulfanylacetate
    • ISOPROPYLTHIOGLYCOLATE
    • Isopropyl mercaptoacetate
    • propan-2-yl sulfanylacetate
    • Acetic acid,2-mercapto-, 1-methylethyl ester
    • MFCD00022078
    • methylethyl 2-sulfanylacetate
    • UNII-LZ0JRQ01AV
    • 1-Methylethyl 2-Mercaptoacetate; Isopropyl 2-Mercaptoacetate; Isopropyl Mercaptoacetate; Isopropyl Thioglycolate; Thioglycolic Acid Isopropyl Ester;
    • isopropyl 2-mercaptoacetate
    • SCHEMBL589942
    • SCHEMBL3897256
    • 1-Methylethyl 2-mercaptoacetate
    • KLHDJBCAYIXOTA-UHFFFAOYSA-N
    • ISOPROPYL 2-SULFANYLACETATE
    • HAA38361
    • SBB061230
    • AKOS010939808
    • MSK161619-1000A
    • BS-52924
    • SY192978
    • DB-254985
    • NS00022741
    • ST51047274
    • EN300-85566
    • E84109
    • Q27283261
    • Isopropyl thioglycolate Solution in Acetonitrile, 1000ug/mL
    • 7383-61-1

  • Applications

    Isopropyl thioglycolate, CAS 7383-61-1, is used as an intermediate in organic synthesis to introduce thiol functionality into molecules, enabling access to thiol-containing intermediates for pharmaceuticals, agrochemicals, and specialty chemicals. It may also function as a reducing agent in cosmetic or personal-care formulations, supplying thiol groups for hair-care or other reductive processes. In polymer and coating formulations, it can act as a processing stabilizer and as a radical-scavenging agent to improve processing stability, and it can serve as a chain-transfer agent to modulate polymer molecular weight in radical polymerizations. Due to the sulfur-containing thiol group, it can act as a ligand or metal-binding additive and may function as a corrosion-inhibition or surface-treatment additive in certain formulations. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 157.9
    methanol 280.87
    isopropanol 137.13
    water 11.96
    ethyl acetate 157.4
    n-propanol 130.39
    acetone 351.09
    n-butanol 110.92
    acetonitrile 205.36
    DMF 545.17
    toluene 66.31
    isobutanol 102.57
    1,4-dioxane 248.21
    methyl acetate 197.23
    THF 328.29
    2-butanone 206.23
    n-pentanol 87.67
    sec-butanol 124.62
    n-hexane 31.86
    ethylene glycol 102.41
    NMP 582.39
    cyclohexane 27.91
    DMSO 469.95
    n-butyl acetate 95.26
    n-octanol 92.64
    chloroform 299.61
    n-propyl acetate 93.79
    acetic acid 334.07
    dichloromethane 260.92
    cyclohexanone 273.08
    propylene glycol 105.13
    isopropyl acetate 106.0
    DMAc 509.68
    2-ethoxyethanol 155.38
    isopentanol 91.69
    n-heptane 18.87
    ethyl formate 114.99
    1,2-dichloroethane 167.76
    n-hexanol 97.42
    2-methoxyethanol 288.68
    isobutyl acetate 69.08
    tetrachloromethane 51.72
    n-pentyl acetate 88.17
    transcutol 380.73
    n-heptanol 56.46
    ethylbenzene 53.15
    MIBK 105.58
    2-propoxyethanol 191.0
    tert-butanol 163.39
    MTBE 128.09
    2-butoxyethanol 105.04
    propionic acid 177.03
    o-xylene 69.97
    formic acid 134.06
    diethyl ether 119.21
    m-xylene 64.14
    p-xylene 73.49
    chlorobenzene 116.02
    dimethyl carbonate 82.31
    n-octane 11.2
    formamide 122.05
    cyclopentanone 357.99
    2-pentanone 165.23
    anisole 114.71
    cyclopentyl methyl ether 159.63
    gamma-butyrolactone 389.66
    1-methoxy-2-propanol 225.01
    pyridine 175.9
    3-pentanone 149.67
    furfural 337.73
    n-dodecane 13.35
    diethylene glycol 195.23
    diisopropyl ether 47.06
    tert-amyl alcohol 137.89
    acetylacetone 269.22
    n-hexadecane 14.4
    acetophenone 140.72
    methyl propionate 152.17
    isopentyl acetate 87.89
    trichloroethylene 324.12
    n-nonanol 78.11
    cyclohexanol 127.73
    benzyl alcohol 104.29
    2-ethylhexanol 64.03
    isooctanol 47.8
    dipropyl ether 66.62
    1,2-dichlorobenzene 131.71
    ethyl lactate 78.16
    propylene carbonate 199.38
    n-methylformamide 205.07
    2-pentanol 87.48
    n-pentane 25.66
    1-propoxy-2-propanol 124.64
    1-methoxy-2-propyl acetate 121.39
    2-(2-methoxypropoxy) propanol 146.74
    mesitylene 49.35
    ε-caprolactone 232.47
    p-cymene 42.79
    epichlorohydrin 273.52
    1,1,1-trichloroethane 172.51
    2-aminoethanol 126.04
    morpholine-4-carbaldehyde 410.69
    sulfolane 529.75
    2,2,4-trimethylpentane 18.56
    2-methyltetrahydrofuran 225.41
    n-hexyl acetate 156.88
    isooctane 12.46
    2-(2-butoxyethoxy)ethanol 167.23
    sec-butyl acetate 73.11
    tert-butyl acetate 126.84
    decalin 23.21
    glycerin 168.47
    diglyme 255.76
    acrylic acid 200.5
    isopropyl myristate 65.44
    n-butyric acid 171.56
    acetyl acetate 137.67
    di(2-ethylhexyl) phthalate 78.03
    ethyl propionate 104.99
    nitromethane 452.09
    1,2-diethoxyethane 109.24
    benzonitrile 141.34
    trioctyl phosphate 56.08
    1-bromopropane 103.33
    gamma-valerolactone 397.89
    n-decanol 59.54
    triethyl phosphate 62.59
    4-methyl-2-pentanol 55.49
    propionitrile 127.14
    vinylene carbonate 187.27
    1,1,2-trichlorotrifluoroethane 256.0
    DMS 139.13
    cumene 47.98
    2-octanol 52.88
    2-hexanone 111.96
    octyl acetate 83.32
    limonene 61.97
    1,2-dimethoxyethane 252.63
    ethyl orthosilicate 57.56
    tributyl phosphate 66.91
    diacetone alcohol 156.09
    N,N-dimethylaniline 106.43
    acrylonitrile 176.69
    aniline 93.64
    1,3-propanediol 142.11
    bromobenzene 109.17
    dibromomethane 184.51
    1,1,2,2-tetrachloroethane 259.4
    2-methyl-cyclohexyl acetate 87.38
    tetrabutyl urea 95.13
    diisobutyl methanol 45.83
    2-phenylethanol 96.12
    styrene 62.56
    dioctyl adipate 99.85
    dimethyl sulfate 183.26
    ethyl butyrate 81.6
    methyl lactate 120.28
    butyl lactate 81.86
    diethyl carbonate 64.92
    propanediol butyl ether 140.96
    triethyl orthoformate 64.47
    p-tert-butyltoluene 44.28
    methyl 4-tert-butylbenzoate 135.46
    morpholine 240.13
    tert-butylamine 103.78
    n-dodecanol 48.22
    dimethoxymethane 216.04
    ethylene carbonate 135.19
    cyrene 162.2
    2-ethoxyethyl acetate 117.83
    2-ethylhexyl acetate 72.1
    1,2,4-trichlorobenzene 160.94
    4-methylpyridine 197.79
    dibutyl ether 81.37
    2,6-dimethyl-4-heptanol 45.83
    DEF 210.31
    dimethyl isosorbide 214.65
    tetrachloroethylene 170.39
    eugenol 130.01
    triacetin 164.74
    span 80 133.86
    1,4-butanediol 74.36
    1,1-dichloroethane 173.92
    2-methyl-1-pentanol 80.96
    methyl formate 179.33
    2-methyl-1-butanol 95.47
    n-decane 19.12
    butyronitrile 113.26
    3,7-dimethyl-1-octanol 83.01
    1-chlorooctane 62.12
    1-chlorotetradecane 29.66
    n-nonane 18.9
    undecane 15.44
    tert-butylcyclohexane 23.77
    cyclooctane 12.47
    cyclopentanol 156.88
    tetrahydropyran 183.56
    tert-amyl methyl ether 113.95
    2,5,8-trioxanonane 220.69
    1-hexene 70.2
    2-isopropoxyethanol 111.39
    2,2,2-trifluoroethanol 130.2
    methyl butyrate 126.45

    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