(2-(Mercapto-kappaS)acetato(2-)-kappaO)calcium

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  • Identifiers

    CAS number
    37457-75-3

    Molecular formula
    C2H2CaO2S

    SMILES
    C(C(=O)[O-])[S-].[Ca+2]

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 69.78%
    Meaty 28.55%
    Savory 27.27%
    Sulfurous 26.95%
    Cooked 18.9%
    Roasted 18.56%
    Sweet 15.77%
    Burnt 14.95%
    Cheesy 13.7%
    Fishy 13.68%

     

    Flavor
    Odorless 54.82%
    Mild 25.78%
    Cooked 22.04%
    Sulfury 21.15%
    Bland 21.09%
    Sour 21.03%
    Mousy 21.0%
    Yeast 20.34%
    Roasted 20.17%
    Faint 20.08%

     

    Odor impact est.
    High

  • Properties

    pKa est.
    2.65 (strong acid)

    Molecular weight
    130.18 g/mol

    Flash point

    • 47.25 ˚C est.

  • Synonyms

    • 37457-75-3
    • Calcium, (mercaptoacetato(2-)-O,S)-
    • Calcium, [mercaptoacetato(2-)-O,S]-
    • (Mercaptoacetato(2-)-O,S)calcium
    • Mercaptoacetic acid, monocalcium salt
    • Calcium, (2-(mercapto-kappaS)acetato(2-)-kappaO)-
    • RefChem:395121
    • DTXSID601014915
    • (2-(Mercapto-kappaS)acetato(2-)-kappaO)calcium
    • 253-511-8
    • Calcium thioglycolate (1:1)
    • Calcium sulphidoacetate
    • 29820-13-1
    • calcium;2-sulfidoacetate
    • Thioglycolic acid calcium salt
    • Acetic acid, mercapto-, calcium salt (1:1)
    • Acetic acid, 2-mercapto-, calcium salt (1:1)
    • EINECS 249-881-5
    • calcium sulfidoacetate
    • C2H2CaO2S
    • EC 249-881-5
    • Mercaptoacetic Acid Calcium Salt
    • DTXSID00890822
    • QVCFQEFEMBCIOI-UHFFFAOYSA-L
    • MFCD00043437
    • DB-369920
    • NS00078270
    • T0902
    • 29820-13-1

  • Applications

    The calcium salt of mercaptoacetic acid, (2-(Mercapto-kappaS)acetato(2-)-kappaO)calcium (CAS 37457-75-3), has practical applications as an intermediate in organic synthesis of thiol-containing compounds; as a reducing agent in cosmetic/personal care formulations such as depilatories and hair-care products; as a metal-ion chelating agent and stabilizer in polymers, coatings and inks, and in cleaning formulations; and as a processing aid in plastics and adhesives, with use depending on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 198.97
    methanol 389.92
    isopropanol 128.25
    water 125.89
    ethyl acetate 169.56
    n-propanol 123.26
    acetone 614.9
    n-butanol 95.71
    acetonitrile 487.26
    DMF 1499.82
    toluene 51.11
    isobutanol 82.25
    1,4-dioxane 374.75
    methyl acetate 279.72
    THF 307.93
    2-butanone 263.02
    n-pentanol 84.7
    sec-butanol 93.73
    n-hexane 19.25
    ethylene glycol 174.06
    NMP 849.93
    cyclohexane 18.12
    DMSO 1099.64
    n-butyl acetate 67.31
    n-octanol 65.35
    chloroform 84.22
    n-propyl acetate 117.71
    acetic acid 288.31
    dichloromethane 163.74
    cyclohexanone 213.11
    propylene glycol 93.02
    isopropyl acetate 90.72
    DMAc 1066.36
    2-ethoxyethanol 283.52
    isopentanol 80.06
    n-heptane 13.27
    ethyl formate 183.92
    1,2-dichloroethane 178.37
    n-hexanol 50.98
    2-methoxyethanol 461.81
    isobutyl acetate 57.04
    tetrachloromethane 17.67
    n-pentyl acetate 59.85
    transcutol 637.33
    n-heptanol 31.99
    ethylbenzene 44.98
    MIBK 101.72
    2-propoxyethanol 160.81
    tert-butanol 159.3
    MTBE 117.36
    2-butoxyethanol 90.51
    propionic acid 160.39
    o-xylene 67.55
    formic acid 277.06
    diethyl ether 148.99
    m-xylene 49.31
    p-xylene 56.41
    chlorobenzene 56.23
    dimethyl carbonate 176.31
    n-octane 8.04
    formamide 472.93
    cyclopentanone 285.72
    2-pentanone 174.1
    anisole 154.95
    cyclopentyl methyl ether 137.85
    gamma-butyrolactone 359.43
    1-methoxy-2-propanol 261.56
    pyridine 183.46
    3-pentanone 172.89
    furfural 403.18
    n-dodecane 9.95
    diethylene glycol 224.13
    diisopropyl ether 45.09
    tert-amyl alcohol 115.65
    acetylacetone 283.31
    n-hexadecane 10.64
    acetophenone 167.0
    methyl propionate 202.11
    isopentyl acetate 54.56
    trichloroethylene 188.53
    n-nonanol 59.3
    cyclohexanol 83.01
    benzyl alcohol 115.29
    2-ethylhexanol 39.26
    isooctanol 27.95
    dipropyl ether 69.23
    1,2-dichlorobenzene 68.95
    ethyl lactate 88.16
    propylene carbonate 153.75
    n-methylformamide 565.25
    2-pentanol 66.03
    n-pentane 18.07
    1-propoxy-2-propanol 102.33
    1-methoxy-2-propyl acetate 98.54
    2-(2-methoxypropoxy) propanol 182.25
    mesitylene 40.34
    ε-caprolactone 185.37
    p-cymene 29.47
    epichlorohydrin 299.71
    1,1,1-trichloroethane 78.75
    2-aminoethanol 176.85
    morpholine-4-carbaldehyde 855.02
    sulfolane 450.33
    2,2,4-trimethylpentane 9.18
    2-methyltetrahydrofuran 174.13
    n-hexyl acetate 97.95
    isooctane 6.78
    2-(2-butoxyethoxy)ethanol 215.92
    sec-butyl acetate 67.64
    tert-butyl acetate 96.47
    decalin 15.98
    glycerin 176.36
    diglyme 413.16
    acrylic acid 194.63
    isopropyl myristate 52.13
    n-butyric acid 115.89
    acetyl acetate 131.77
    di(2-ethylhexyl) phthalate 53.21
    ethyl propionate 124.38
    nitromethane 864.96
    1,2-diethoxyethane 169.48
    benzonitrile 125.86
    trioctyl phosphate 39.1
    1-bromopropane 73.27
    gamma-valerolactone 481.87
    n-decanol 49.87
    triethyl phosphate 52.01
    4-methyl-2-pentanol 41.53
    propionitrile 185.32
    vinylene carbonate 162.63
    1,1,2-trichlorotrifluoroethane 235.51
    DMS 130.79
    cumene 39.57
    2-octanol 29.94
    2-hexanone 129.28
    octyl acetate 64.64
    limonene 39.66
    1,2-dimethoxyethane 561.33
    ethyl orthosilicate 46.76
    tributyl phosphate 52.81
    diacetone alcohol 144.21
    N,N-dimethylaniline 155.19
    acrylonitrile 286.16
    aniline 88.89
    1,3-propanediol 175.12
    bromobenzene 45.38
    dibromomethane 96.3
    1,1,2,2-tetrachloroethane 139.9
    2-methyl-cyclohexyl acetate 58.23
    tetrabutyl urea 102.12
    diisobutyl methanol 31.43
    2-phenylethanol 69.52
    styrene 57.62
    dioctyl adipate 86.17
    dimethyl sulfate 327.04
    ethyl butyrate 77.25
    methyl lactate 153.06
    butyl lactate 65.23
    diethyl carbonate 62.22
    propanediol butyl ether 123.34
    triethyl orthoformate 60.87
    p-tert-butyltoluene 28.6
    methyl 4-tert-butylbenzoate 113.34
    morpholine 356.2
    tert-butylamine 89.28
    n-dodecanol 42.76
    dimethoxymethane 509.21
    ethylene carbonate 130.52
    cyrene 168.68
    2-ethoxyethyl acetate 111.28
    2-ethylhexyl acetate 43.81
    1,2,4-trichlorobenzene 79.41
    4-methylpyridine 199.24
    dibutyl ether 80.2
    2,6-dimethyl-4-heptanol 31.43
    DEF 338.61
    dimethyl isosorbide 217.67
    tetrachloroethylene 93.35
    eugenol 131.18
    triacetin 149.87
    span 80 120.84
    1,4-butanediol 94.68
    1,1-dichloroethane 102.4
    2-methyl-1-pentanol 73.1
    methyl formate 478.63
    2-methyl-1-butanol 75.37
    n-decane 13.37
    butyronitrile 127.68
    3,7-dimethyl-1-octanol 59.43
    1-chlorooctane 38.27
    1-chlorotetradecane 22.77
    n-nonane 13.06
    undecane 11.22
    tert-butylcyclohexane 13.26
    cyclooctane 9.46
    cyclopentanol 96.96
    tetrahydropyran 159.45
    tert-amyl methyl ether 106.43
    2,5,8-trioxanonane 334.79
    1-hexene 46.51
    2-isopropoxyethanol 160.24
    2,2,2-trifluoroethanol 180.57
    methyl butyrate 157.16

    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