Glyoxyloyl carbocysteine

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  • Identifiers

    CAS number
    1268868-51-4

    Molecular formula
    C7H9NO6S

    SMILES
    C([C@@H](C(=O)O)NC(=O)C=O)SCC(=O)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 50.69%
    Meaty 45.93%
    Savory 45.61%
    Sulfurous 40.42%
    Roasted 33.37%
    Cooked 32.26%
    Sweet 23.54%
    Burnt 20.72%
    Onion 20.11%
    Cabbage 18.84%

     

    Flavor
    Odorless 57.71%
    Very mild 32.69%
    Bitter 30.89%
    Mild 29.21%
    Bland 27.41%
    Cooked 24.38%
    Nutty 24.36%
    Yeast 23.83%
    Sweet-like 21.78%
    Taco 20.65%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.7

    pKa est.
    5.28 (weak acid)

    Molecular weight
    235.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    407°C

    Flash point

    • 256.81 ˚C est.

  • Synonyms

    • Glyoxyloyl carbocysteine
    • Oxoacetamide carbocysteine
    • Occ 100
    • UNII-3K6008UJ5J
    • 3K6008UJ5J
    • L-Cysteine, S-(carboxymethyl)-N-(2-oxoacetyl)-
    • 1268868-51-4
    • DTXSID00155322
    • RefChem:144039
    • DTXCID4077813
    • GLYOXYLOYL CARBOCYSTEINE [INCI]
    • SCHEMBL16774457
    • S-(Carboxymethyl)-N-(oxoacetyl)-L-cysteine
    • Q27257378
    • 1268868-51-4

  • Applications

    Glyoxyloyl carbocysteine (CAS 1268868-51-4) is an amino-acid-derived intermediate and functionalizing agent used in cosmetic, polymer and specialty chemical applications. In cosmetics and personal care, it often acts as a conditioning/keratin-modifying additive that leverages its cysteine-derived structure to improve feel and manageability of hair. In polymers/plastics and coatings/inks, it can serve as a reactive intermediate or crosslinking/functionalizing agent to enhance adhesion and network formation. In industrial manufacturing, it is used as an intermediate for the synthesis of other cysteine-containing compounds and related specialty chemicals. It may also be evaluated as a building block for pharmaceutical synthesis within applicable regulatory frameworks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.63
    methanol 25.21
    isopropanol 2.38
    water 88.9
    ethyl acetate 0.5
    n-propanol 3.26
    acetone 5.35
    n-butanol 1.74
    acetonitrile 0.82
    DMF 173.19
    toluene 0.36
    isobutanol 1.16
    1,4-dioxane 3.06
    methyl acetate 0.87
    THF 5.15
    2-butanone 1.96
    n-pentanol 0.97
    sec-butanol 1.62
    n-hexane 0.15
    ethylene glycol 29.04
    NMP 104.13
    cyclohexane 0.28
    DMSO 321.56
    n-butyl acetate 0.64
    n-octanol 0.75
    chloroform 0.07
    n-propyl acetate 0.48
    acetic acid 6.56
    dichloromethane 0.17
    cyclohexanone 3.92
    propylene glycol 12.08
    isopropyl acetate 0.38
    DMAc 95.48
    2-ethoxyethanol 14.77
    isopentanol 1.14
    n-heptane 0.27
    ethyl formate 2.1
    1,2-dichloroethane 0.37
    n-hexanol 1.15
    2-methoxyethanol 47.38
    isobutyl acetate 0.12
    tetrachloromethane 0.08
    n-pentyl acetate 0.46
    transcutol 11.75
    n-heptanol 0.91
    ethylbenzene 0.26
    MIBK 0.88
    2-propoxyethanol 8.12
    tert-butanol 3.14
    MTBE 0.57
    2-butoxyethanol 4.23
    propionic acid 3.06
    o-xylene 0.7
    formic acid 63.83
    diethyl ether 0.7
    m-xylene 0.36
    p-xylene 0.31
    chlorobenzene 0.09
    dimethyl carbonate 1.92
    n-octane 0.11
    formamide 88.69
    cyclopentanone 5.92
    2-pentanone 1.72
    anisole 0.71
    cyclopentyl methyl ether 1.84
    gamma-butyrolactone 7.19
    1-methoxy-2-propanol 16.17
    pyridine 1.89
    3-pentanone 1.45
    furfural 10.99
    n-dodecane 0.05
    diethylene glycol 20.5
    diisopropyl ether 0.21
    tert-amyl alcohol 2.47
    acetylacetone 2.62
    n-hexadecane 0.06
    acetophenone 1.51
    methyl propionate 1.55
    isopentyl acetate 0.44
    trichloroethylene 0.31
    n-nonanol 0.76
    cyclohexanol 1.82
    benzyl alcohol 1.47
    2-ethylhexanol 0.62
    isooctanol 0.53
    dipropyl ether 0.93
    1,2-dichlorobenzene 0.13
    ethyl lactate 1.9
    propylene carbonate 1.79
    n-methylformamide 50.39
    2-pentanol 0.92
    n-pentane 0.14
    1-propoxy-2-propanol 4.28
    1-methoxy-2-propyl acetate 1.54
    2-(2-methoxypropoxy) propanol 5.4
    mesitylene 0.32
    ε-caprolactone 2.98
    p-cymene 0.34
    epichlorohydrin 2.7
    1,1,1-trichloroethane 0.08
    2-aminoethanol 27.37
    morpholine-4-carbaldehyde 44.75
    sulfolane 36.32
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 1.64
    n-hexyl acetate 0.63
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 6.84
    sec-butyl acetate 0.22
    tert-butyl acetate 0.61
    decalin 0.1
    glycerin 39.71
    diglyme 11.45
    acrylic acid 5.16
    isopropyl myristate 0.3
    n-butyric acid 1.86
    acetyl acetate 0.35
    di(2-ethylhexyl) phthalate 0.68
    ethyl propionate 0.61
    nitromethane 13.51
    1,2-diethoxyethane 1.1
    benzonitrile 0.48
    trioctyl phosphate 0.56
    1-bromopropane 0.16
    gamma-valerolactone 17.09
    n-decanol 0.59
    triethyl phosphate 0.85
    4-methyl-2-pentanol 0.45
    propionitrile 0.69
    vinylene carbonate 1.97
    1,1,2-trichlorotrifluoroethane 8.53
    DMS 0.76
    cumene 0.22
    2-octanol 0.5
    2-hexanone 0.83
    octyl acetate 0.46
    limonene 0.55
    1,2-dimethoxyethane 13.43
    ethyl orthosilicate 0.71
    tributyl phosphate 0.58
    diacetone alcohol 3.98
    N,N-dimethylaniline 1.41
    acrylonitrile 1.51
    aniline 0.96
    1,3-propanediol 16.16
    bromobenzene 0.06
    dibromomethane 0.12
    1,1,2,2-tetrachloroethane 0.41
    2-methyl-cyclohexyl acetate 0.72
    tetrabutyl urea 1.96
    diisobutyl methanol 0.4
    2-phenylethanol 1.15
    styrene 0.23
    dioctyl adipate 0.64
    dimethyl sulfate 8.37
    ethyl butyrate 0.78
    methyl lactate 6.07
    butyl lactate 1.54
    diethyl carbonate 0.51
    propanediol butyl ether 4.99
    triethyl orthoformate 0.87
    p-tert-butyltoluene 0.31
    methyl 4-tert-butylbenzoate 1.99
    morpholine 6.56
    tert-butylamine 1.05
    n-dodecanol 0.43
    dimethoxymethane 16.92
    ethylene carbonate 1.23
    cyrene 9.91
    2-ethoxyethyl acetate 0.82
    2-ethylhexyl acetate 0.34
    1,2,4-trichlorobenzene 0.18
    4-methylpyridine 1.62
    dibutyl ether 0.44
    2,6-dimethyl-4-heptanol 0.4
    DEF 8.96
    dimethyl isosorbide 6.97
    tetrachloroethylene 0.45
    eugenol 2.91
    triacetin 1.19
    span 80 3.24
    1,4-butanediol 5.67
    1,1-dichloroethane 0.09
    2-methyl-1-pentanol 0.63
    methyl formate 21.16
    2-methyl-1-butanol 1.15
    n-decane 0.1
    butyronitrile 0.53
    3,7-dimethyl-1-octanol 0.45
    1-chlorooctane 0.18
    1-chlorotetradecane 0.09
    n-nonane 0.11
    undecane 0.07
    tert-butylcyclohexane 0.06
    cyclooctane 0.16
    cyclopentanol 2.28
    tetrahydropyran 1.18
    tert-amyl methyl ether 0.85
    2,5,8-trioxanonane 9.79
    1-hexene 0.24
    2-isopropoxyethanol 3.94
    2,2,2-trifluoroethanol 5.31
    methyl butyrate 1.11

    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