Procysteine

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  • Identifiers

    CAS number
    19771-63-2

    Molecular formula
    C4H5NO3S

    SMILES
    C1[C@H](NC(=O)S1)C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 60.89%
    Meaty 34.3%
    Roasted 33.85%
    Nutty 28.34%
    Savory 27.53%
    Cooked 26.61%
    Sulfurous 26.57%
    Burnt 25.5%
    Sweet 21.27%
    Popcorn 19.53%

     

    Flavor
    Odorless 43.91%
    Bitter 43.32%
    Nutty 25.95%
    Very mild 24.3%
    Cooked 21.82%
    Yeast 21.12%
    Taco 20.93%
    Bread crust 20.36%
    Roasted 20.26%
    Mild 20.18%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.1

    pKa est.
    6.81 (neutral)

    Molecular weight
    147.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    421°C

    Flash point

    • 182.49 ˚C est.

  • Synonyms

    • Procysteine
    • 19771-63-2
    • (R)-2-Oxothiazolidine-4-carboxylic acid
    • oxothiazolidinecarboxylic acid
    • (4R)-2-oxo-1,3-thiazolidine-4-carboxylic acid
    • Koprosteine
    • 4-Thiazolidinecarboxylic acid, 2-oxo-, (4R)-
    • L-2-Oxothiazolidine-4-carboxylic acid
    • L-2-Oxo-4-thiazolidinecarboxylic acid
    • 4-Thiazolidinecarboxylic acid, 2-oxo-, L-
    • (-)-2-Oxo-4-thiazolidinecarboxylic acid
    • X7063P804E
    • DTXSID501318247
    • 2-oxo-l-thiazolidine-4-carboxylic acid
    • 2-OXO-4-THIAZOLIDINECARBOXYLIC ACID, L-
    • 2-oxo-4-thiazolidine carboxylic acid
    • RefChem:930008
    • L-2-OTZD-4-CXA
    • DTXCID501748034
    • 2-Oxothiazolidine-4-carboxylic acid
    • 4-Thiazolidinecarboxylic acid, 2-oxo-
    • (R)-(-)-2-Oxothiazolidine-4-carboxylic acid
    • (4R)-2-oxothiazolidine-4-carboxylic acid
    • MFCD00066092
    • L-2-Oxothiazolidine-4-carboxylate
    • CHEMBL442218
    • 4-Thiazolidinecarboxylic acid, 2-oxo-, (R)-
    • C4H5NO3S
    • L-2-Thiazolidinone-4-carboxylic Acid
    • 4-Thiazolidinecarboxylic acid, 2-oxo-, (R)- [CAS]
    • SMR000449326
    • CCRIS 7672
    • Oxothiazolidine carboxylate, L-
    • (R)-2-Oxo-4-thiazolidinecarboxylic acid
    • 2-Oxothiazolidine-4-carboxylate, L-
    • BRN 4179169
    • (4R)-2-oxo-4-thiazolidinecarboxylic acid
    • UNII-X7063P804E
    • OTC & TNF
    • OTC;Procysteine;OTZ;L-Thiazolidin-2-one-4-carboxylic acid
    • MLS000758239
    • MLS001424019
    • SCHEMBL352387
    • orb1301850
    • SCHEMBL14671318
    • CHEBI:125673
    • HMS2051K09
    • BDBM50357221
    • EBC-14464
    • SBB004097
    • AKOS001282090
    • r-2-oxothiazolidine-4-carboxylic acid
    • CCG-100780
    • DB12224
    • NC00030
    • (R)-2-Oxothiazolidine-4-carboxylicacid
    • (4R)-2-oxothiazolidine4-carboxylic acid
    • NCGC00484854-02
    • (4R)-2-oxothiazolidin-4-carboxylic acid
    • AC-27858
    • DS-11903
    • ST075445
    • SY112129
    • 1,2-OXOTHIAZOLIDINE-4-CARBOXYLATE
    • HY-133105
    • CS-0110970
    • NS00069195
    • T1223
    • EN300-24554
    • (R)-(-)-2-oxo-thiazolidine-4-carboxylic acid
    • D70531
    • 273O780
    • F358305
    • L-2-OXO-4-THIAZOLIDINECARBOXYLIC ACID [MI]
    • R-2-OXO-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID
    • BRD-K92413528-001-06-9
    • Q27216284
    • Z203038562
    • L-2-Oxothiazolidine-4-carboxylic acid & Tumor necrosis factor
    • 4-Thiazolidinecarboxylic acid, 2-oxo-, (4R)- & Tumor necrosis factor
    • (R)-(-)-2-Oxothiazolidine-4-carboxylic acid, >=98% (titration), >=97% (TLC)
    • 19771-63-2

  • Applications

    Procysteine (CAS 19771-63-2) is used as a building block and intermediate in pharmaceutical and biotech synthesis, enabling incorporation of cysteine-like fragments into peptides and peptidomimetics; it also serves as a thiol-containing starting material for surface functionalization and crosslinking in polymers and materials, with thiol-ene chemistry and improved adhesion in coatings and inks; due to its free sulfhydryl group, it can act as a reducing agent or stabilizer in specialized formulations; finally, Procysteine is viewed as a precursor for intermediates in material production and other industrial applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 59.41
    methanol 149.78
    isopropanol 27.86
    water 222.09
    ethyl acetate 5.59
    n-propanol 26.35
    acetone 22.05
    n-butanol 21.41
    acetonitrile 8.04
    DMF 228.21
    toluene 1.5
    isobutanol 13.11
    1,4-dioxane 28.66
    methyl acetate 9.34
    THF 27.58
    2-butanone 8.66
    n-pentanol 13.71
    sec-butanol 14.84
    n-hexane 0.46
    ethylene glycol 97.42
    NMP 72.77
    cyclohexane 0.7
    DMSO 197.28
    n-butyl acetate 5.43
    n-octanol 8.58
    chloroform 2.39
    n-propyl acetate 5.23
    acetic acid 42.81
    dichloromethane 4.1
    cyclohexanone 10.37
    propylene glycol 37.52
    isopropyl acetate 4.9
    DMAc 120.07
    2-ethoxyethanol 93.79
    isopentanol 18.04
    n-heptane 0.91
    ethyl formate 24.52
    1,2-dichloroethane 4.78
    n-hexanol 9.72
    2-methoxyethanol 175.47
    isobutyl acetate 2.35
    tetrachloromethane 1.34
    n-pentyl acetate 6.55
    transcutol 99.91
    n-heptanol 9.3
    ethylbenzene 1.69
    MIBK 7.22
    2-propoxyethanol 46.61
    tert-butanol 30.61
    MTBE 7.51
    2-butoxyethanol 39.61
    propionic acid 13.17
    o-xylene 2.64
    formic acid 178.96
    diethyl ether 7.09
    m-xylene 2.01
    p-xylene 1.83
    chlorobenzene 1.13
    dimethyl carbonate 13.09
    n-octane 0.66
    formamide 215.96
    cyclopentanone 14.18
    2-pentanone 8.76
    anisole 7.62
    cyclopentyl methyl ether 7.32
    gamma-butyrolactone 20.58
    1-methoxy-2-propanol 78.76
    pyridine 8.97
    3-pentanone 4.23
    furfural 41.79
    n-dodecane 0.55
    diethylene glycol 98.7
    diisopropyl ether 2.2
    tert-amyl alcohol 19.1
    acetylacetone 14.83
    n-hexadecane 0.58
    acetophenone 9.45
    methyl propionate 7.43
    isopentyl acetate 5.18
    trichloroethylene 4.71
    n-nonanol 8.26
    cyclohexanol 7.87
    benzyl alcohol 13.61
    2-ethylhexanol 4.95
    isooctanol 6.74
    dipropyl ether 4.6
    1,2-dichlorobenzene 1.82
    ethyl lactate 12.69
    propylene carbonate 11.42
    n-methylformamide 105.24
    2-pentanol 9.91
    n-pentane 0.65
    1-propoxy-2-propanol 24.25
    1-methoxy-2-propyl acetate 10.73
    2-(2-methoxypropoxy) propanol 34.65
    mesitylene 1.84
    ε-caprolactone 12.55
    p-cymene 2.07
    epichlorohydrin 22.78
    1,1,1-trichloroethane 1.55
    2-aminoethanol 85.47
    morpholine-4-carbaldehyde 97.76
    sulfolane 38.4
    2,2,4-trimethylpentane 0.35
    2-methyltetrahydrofuran 10.96
    n-hexyl acetate 7.72
    isooctane 0.3
    2-(2-butoxyethoxy)ethanol 52.8
    sec-butyl acetate 3.08
    tert-butyl acetate 7.32
    decalin 0.45
    glycerin 90.3
    diglyme 95.23
    acrylic acid 17.59
    isopropyl myristate 3.63
    n-butyric acid 15.14
    acetyl acetate 5.18
    di(2-ethylhexyl) phthalate 6.72
    ethyl propionate 4.7
    nitromethane 66.14
    1,2-diethoxyethane 15.09
    benzonitrile 5.41
    trioctyl phosphate 5.38
    1-bromopropane 1.66
    gamma-valerolactone 42.94
    n-decanol 6.59
    triethyl phosphate 5.26
    4-methyl-2-pentanol 6.5
    propionitrile 4.98
    vinylene carbonate 13.03
    1,1,2-trichlorotrifluoroethane 35.19
    DMS 6.36
    cumene 1.69
    2-octanol 5.8
    2-hexanone 5.83
    octyl acetate 5.5
    limonene 2.29
    1,2-dimethoxyethane 97.89
    ethyl orthosilicate 4.77
    tributyl phosphate 5.27
    diacetone alcohol 24.97
    N,N-dimethylaniline 9.79
    acrylonitrile 9.16
    aniline 4.9
    1,3-propanediol 90.71
    bromobenzene 0.81
    dibromomethane 2.3
    1,1,2,2-tetrachloroethane 5.39
    2-methyl-cyclohexyl acetate 4.8
    tetrabutyl urea 11.79
    diisobutyl methanol 4.38
    2-phenylethanol 11.06
    styrene 1.63
    dioctyl adipate 6.06
    dimethyl sulfate 26.76
    ethyl butyrate 5.11
    methyl lactate 24.57
    butyl lactate 11.36
    diethyl carbonate 4.5
    propanediol butyl ether 41.06
    triethyl orthoformate 5.8
    p-tert-butyltoluene 2.15
    methyl 4-tert-butylbenzoate 16.07
    morpholine 37.31
    tert-butylamine 10.83
    n-dodecanol 5.17
    dimethoxymethane 69.94
    ethylene carbonate 9.69
    cyrene 32.4
    2-ethoxyethyl acetate 11.5
    2-ethylhexyl acetate 3.58
    1,2,4-trichlorobenzene 2.27
    4-methylpyridine 8.55
    dibutyl ether 4.6
    2,6-dimethyl-4-heptanol 4.38
    DEF 27.68
    dimethyl isosorbide 35.71
    tetrachloroethylene 5.41
    eugenol 23.69
    triacetin 10.06
    span 80 20.11
    1,4-butanediol 44.99
    1,1-dichloroethane 1.81
    2-methyl-1-pentanol 10.78
    methyl formate 77.59
    2-methyl-1-butanol 13.38
    n-decane 0.81
    butyronitrile 6.26
    3,7-dimethyl-1-octanol 6.82
    1-chlorooctane 1.88
    1-chlorotetradecane 1.1
    n-nonane 0.76
    undecane 0.64
    tert-butylcyclohexane 0.37
    cyclooctane 0.5
    cyclopentanol 10.62
    tetrahydropyran 7.76
    tert-amyl methyl ether 6.68
    2,5,8-trioxanonane 74.01
    1-hexene 1.28
    2-isopropoxyethanol 38.38
    2,2,2-trifluoroethanol 35.12
    methyl butyrate 9.08

    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