2-((2-Amino-2-carboxyethyl)thio)butanedioic acid

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  • Identifiers

    CAS number
    34317-60-7

    Molecular formula
    C7H11NO6S

    SMILES
    C(C(C(=O)O)SCC(C(=O)O)N)C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 53.31%
    Sulfurous 52.58%
    Meaty 51.58%
    Savory 47.69%
    Roasted 33.23%
    Cooked 30.82%
    Cheesy 20.71%
    Onion 20.12%
    Cabbage 17.97%
    Beefy 17.93%

     

    Flavor
    Odorless 64.7%
    Mild 35.87%
    Bland 32.03%
    Very mild 28.65%
    Bitter 28.13%
    Yeast 24.31%
    Cooked 23.1%
    Sweet-like 22.91%
    Faint 22.83%
    Sulfury 21.49%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -3.6

    pKa est.
    4.94 (weak acid)

    Molecular weight
    237.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    438°C

    Melting point expt.

    • 132 - 134 °C

    Flash point

    • 240.06 ˚C est.

  • Synonyms

    • 34317-60-7
    • 2-[(2-Amino-2-carboxyethyl)thio]butanedioic acid
    • 2-Amino-3-(1,2-dicarboxyethylthio)propanoic acid
    • S-(1,2-Dicarboxyethyl)cysteine
    • 2-((2-Amino-2-carboxyethyl)thio)butanedioic acid
    • RefChem:908964
    • S-Cysteinosuccinic acid
    • 2-((2-Amino-2-carboxyethyl)thio)succinic acid
    • 2-(2-amino-2-carboxyethyl)sulfanylbutanedioic acid
    • Butanedioic acid, ((2-amino-2-carboxyethyl)thio)-
    • 2-[(2-AMINO-2-CARBOXYETHYL)SULFANYL]BUTANEDIOIC ACID
    • S-(2-succinyl)-L-cysteine
    • s-succinylcysteine
    • KI-II
    • SCHEMBL1478672
    • DTXSID00955869
    • CHEBI:157780
    • MFCD30145889
    • AS-89421
    • 2-((2-Amino-2-carboxyethyl)thio)succinicacid
    • A10662
    • ((2-amino-2-carboxyethyl)thio)-Butanedioic acid
    • 2-(2-amino-2-carboxyethyl)sulanylbutanedioic acid
    • [(2-Amino-2-carboxyethyl)thio]succinic acid, 8CI
    • [(2-Amino-2-carboxyethyl)thio]butanedioic acid, 9CI
    • 34317-60-7

  • Applications

    2-((2-Amino-2-carboxyethyl)thio)butanedioic acid (CAS 34317-60-7) is a sulfur-containing dicarboxylic acid derivative with amino and carboxyl functionality, and can serve as a synthetic intermediate for sulfur-containing amino acid derivatives, peptidomimetics, and related specialty compounds in pharmaceuticals; it can function as a functional monomer or crosslinking building block for specialty polymers and coatings, acting as a difunctional unit or linking component; it may act as a metal chelating ligand in cleaning formulations, water-treatment products, and cosmetic formulations to improve stability; it may be considered as a precursor or additive for adhesives and water-based coatings; and it may be evaluated as a metal-chelating agent in agricultural formulations to improve micronutrient delivery.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.32
    methanol 0.85
    isopropanol 0.22
    water 23.95
    ethyl acetate 0.3
    n-propanol 0.17
    acetone 1.04
    n-butanol 0.13
    acetonitrile 0.14
    DMF 14.24
    toluene 0.23
    isobutanol 0.1
    1,4-dioxane 1.79
    methyl acetate 0.22
    THF 1.28
    2-butanone 0.28
    n-pentanol 0.1
    sec-butanol 0.15
    n-hexane 0.09
    ethylene glycol 5.63
    NMP 20.16
    cyclohexane 0.2
    DMSO 23.69
    n-butyl acetate 0.18
    n-octanol 0.17
    chloroform 0.03
    n-propyl acetate 0.13
    acetic acid 1.93
    dichloromethane 0.06
    cyclohexanone 0.98
    propylene glycol 1.58
    isopropyl acetate 0.25
    DMAc 16.41
    2-ethoxyethanol 2.65
    isopentanol 0.15
    n-heptane 0.18
    ethyl formate 0.51
    1,2-dichloroethane 0.1
    n-hexanol 0.24
    2-methoxyethanol 7.17
    isobutyl acetate 0.04
    tetrachloromethane 0.07
    n-pentyl acetate 0.15
    transcutol 2.15
    n-heptanol 0.28
    ethylbenzene 0.18
    MIBK 0.32
    2-propoxyethanol 2.17
    tert-butanol 0.69
    MTBE 0.21
    2-butoxyethanol 1.23
    propionic acid 0.4
    o-xylene 0.53
    formic acid 18.87
    diethyl ether 0.22
    m-xylene 0.3
    p-xylene 0.19
    chlorobenzene 0.04
    dimethyl carbonate 0.89
    n-octane 0.08
    formamide 15.6
    cyclopentanone 1.31
    2-pentanone 0.42
    anisole 0.28
    cyclopentyl methyl ether 0.82
    gamma-butyrolactone 1.84
    1-methoxy-2-propanol 3.27
    pyridine 0.46
    3-pentanone 0.42
    furfural 3.1
    n-dodecane 0.04
    diethylene glycol 7.05
    diisopropyl ether 0.15
    tert-amyl alcohol 0.47
    acetylacetone 1.61
    n-hexadecane 0.04
    acetophenone 0.48
    methyl propionate 0.53
    isopentyl acetate 0.15
    trichloroethylene 0.1
    n-nonanol 0.2
    cyclohexanol 0.44
    benzyl alcohol 0.36
    2-ethylhexanol 0.2
    isooctanol 0.18
    dipropyl ether 0.39
    1,2-dichlorobenzene 0.07
    ethyl lactate 0.56
    propylene carbonate 0.73
    n-methylformamide 3.87
    2-pentanol 0.14
    n-pentane 0.05
    1-propoxy-2-propanol 1.17
    1-methoxy-2-propyl acetate 0.66
    2-(2-methoxypropoxy) propanol 1.67
    mesitylene 0.31
    ε-caprolactone 0.88
    p-cymene 0.21
    epichlorohydrin 0.58
    1,1,1-trichloroethane 0.05
    2-aminoethanol 2.91
    morpholine-4-carbaldehyde 12.64
    sulfolane 9.51
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 0.49
    n-hexyl acetate 0.18
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 1.97
    sec-butyl acetate 0.09
    tert-butyl acetate 0.45
    decalin 0.09
    glycerin 10.87
    diglyme 3.62
    acrylic acid 0.82
    isopropyl myristate 0.11
    n-butyric acid 0.41
    acetyl acetate 0.34
    di(2-ethylhexyl) phthalate 0.22
    ethyl propionate 0.24
    nitromethane 3.22
    1,2-diethoxyethane 0.34
    benzonitrile 0.12
    trioctyl phosphate 0.2
    1-bromopropane 0.04
    gamma-valerolactone 4.54
    n-decanol 0.17
    triethyl phosphate 0.38
    4-methyl-2-pentanol 0.13
    propionitrile 0.08
    vinylene carbonate 0.59
    1,1,2-trichlorotrifluoroethane 2.85
    DMS 0.31
    cumene 0.15
    2-octanol 0.16
    2-hexanone 0.17
    octyl acetate 0.16
    limonene 0.29
    1,2-dimethoxyethane 3.26
    ethyl orthosilicate 0.34
    tributyl phosphate 0.17
    diacetone alcohol 1.85
    N,N-dimethylaniline 0.63
    acrylonitrile 0.18
    aniline 0.34
    1,3-propanediol 2.13
    bromobenzene 0.04
    dibromomethane 0.04
    1,1,2,2-tetrachloroethane 0.15
    2-methyl-cyclohexyl acetate 0.25
    tetrabutyl urea 0.59
    diisobutyl methanol 0.2
    2-phenylethanol 0.38
    styrene 0.12
    dioctyl adipate 0.18
    dimethyl sulfate 3.66
    ethyl butyrate 0.27
    methyl lactate 1.96
    butyl lactate 0.41
    diethyl carbonate 0.19
    propanediol butyl ether 1.09
    triethyl orthoformate 0.35
    p-tert-butyltoluene 0.21
    methyl 4-tert-butylbenzoate 0.99
    morpholine 1.65
    tert-butylamine 0.27
    n-dodecanol 0.15
    dimethoxymethane 3.98
    ethylene carbonate 0.45
    cyrene 3.62
    2-ethoxyethyl acetate 0.29
    2-ethylhexyl acetate 0.13
    1,2,4-trichlorobenzene 0.1
    4-methylpyridine 0.42
    dibutyl ether 0.13
    2,6-dimethyl-4-heptanol 0.2
    DEF 2.12
    dimethyl isosorbide 3.05
    tetrachloroethylene 0.23
    eugenol 1.11
    triacetin 0.42
    span 80 1.08
    1,4-butanediol 0.9
    1,1-dichloroethane 0.03
    2-methyl-1-pentanol 0.1
    methyl formate 3.18
    2-methyl-1-butanol 0.13
    n-decane 0.06
    butyronitrile 0.07
    3,7-dimethyl-1-octanol 0.12
    1-chlorooctane 0.07
    1-chlorotetradecane 0.04
    n-nonane 0.06
    undecane 0.05
    tert-butylcyclohexane 0.05
    cyclooctane 0.17
    cyclopentanol 0.48
    tetrahydropyran 0.35
    tert-amyl methyl ether 0.34
    2,5,8-trioxanonane 3.91
    1-hexene 0.08
    2-isopropoxyethanol 0.97
    2,2,2-trifluoroethanol 2.62
    methyl butyrate 0.31

    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