2-Azaniumyl-3-((2-Azaniumyl-2-Carboxylatoethyl)Disulfanyl)Propanoate

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  • Identifiers

    CAS number
    923-32-0

    Molecular formula
    C6H12N2O4S2

    SMILES
    C(C(C(=O)O)N)SSCC(C(=O)O)N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 53.66%
    Meaty 49.01%
    Savory 47.13%
    Sulfurous 46.97%
    Cooked 31.55%
    Roasted 30.05%
    Onion 24.01%
    Garlic 20.54%
    Beefy 20.52%
    Sweet 19.71%

     

    Flavor
    Odorless 51.44%
    Bitter 34.59%
    Bland 31.82%
    Mild 31.41%
    Sulfury 27.57%
    Cooked 25.71%
    Roasted 25.01%
    Sulfurous 23.05%
    Sweet-like 22.91%
    Yeast 21.95%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -6.3

    pKa est.
    5.05 (weak acid)

    Molecular weight
    240.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    450°C

    Flash point

    • 228.22 ˚C est.

  • Synonyms

    • RefChem:1062274
    • 2-Azaniumyl-3-((2-Azaniumyl-2-Carboxylatoethyl)Disulfanyl)Propanoate
    • DL-CYSTINE
    • 923-32-0
    • MFCD00084652
    • .beta.,.beta.'-Dithiodialanine
    • C6H12N2O4S2
    • (H-Cys-OH)
    • (+/-)-3,3'-Dithiobis(2-aminopropionicacid)
    • Bis(.beta.-amino-.beta.-carboxyethyl) disulfide
    • NSC 13203
    • Zystin
    • NSC 203781
    • NSC-203781
    • NCGC00164531-01
    • (R,R)-3,3'-Dithiobis(2-aminopropionicacid)
    • Alanine,3'-dithiodi-
    • DL-Cystine, 99%
    • Alanine,3'-dithiobis-
    • Carbocisteine Impurity 4
    • L-3,3'-dithiodialanine
    • CYSTINE, (L)
    • Cystine_RamanathanGurudeeban
    • SCHEMBL10224
    • CHEMBL366563
    • orb2944195
    • (2R)-2-amino-3-{[(2S)-2-amino-2-carboxyethyl]disulfanyl}propanoic acid
    • BDBM86199
    • .beta.,.beta.'-Dithiobisalanine
    • CAS_595
    • NSC_595
    • Pharmakon1600-01300099
    • 2-amino-3-[(2-amino-2-carboxy-ethyl)disulfanyl]propanoic acid
    • BBL011587
    • CAS_67678
    • MSK168259
    • NSC_67678
    • NSC203781
    • NSC205366
    • NSC755897
    • STL163324
    • AKOS000121517
    • AKOS016050601
    • CS-W014656
    • EBC-253075
    • FC40915
    • FD21212
    • HY-W013940
    • NSC-205366
    • NSC-755897
    • 3,3'-Dithiobis(2-aminopropionic acid)
    • .beta.,.beta.'-dicarboxydiethyldisulfide
    • NCGC00164531-02
    • NCGC00164531-03
    • AS-66164
    • DA-52600
    • SY038309
    • .beta.,.beta.'-dicarboxydiethyl disulfide
    • SBI-0207067.P001
    • DB-052986
    • NS00100003
    • ST45022122
    • EN300-34180
    • Bis(.beta.-amino-.beta.-carboxyethyl)disulfide
    • C01420
    • 923C320
    • F237045
    • SR-01000872746
    • DL-Cystine (H-DL-Cys(1)-OH.H-DL-Cys(1)-OH)
    • SR-01000872746-1
    • BRD-A15397381-001-02-5
    • Q27102343
    • Z56346947
    • Propanoic acid,3'-dithiobis[2-amino-, [R-(R*,R*)]-
    • L-Cystine, from non-animal source, suitable for cell culture
    • .beta.,.beta.'-Diamino-.beta.,.beta.'-dicarboxydiethyl disulfide
    • 5228F255-51E7-421E-8A05-4687B20118CB
    • 2-amino-3-(2-amino-3-hydroxy-3-oxopropyl)disulfanylpropansäure
    • 2-amino-3-[(2-amino-3-hydroxy-3-oxo-propyl)disulfanyl]propanoic acid
    • 923-32-0

  • Applications

    2-Azaniumyl-3-((2-Azaniumyl-2-Carboxylatoethyl)Disulfanyl)Propanoate (CAS 923-32-0) is a dicationic, disulfide-containing salt that can function as a synthetic intermediate and as a crosslinking/curing agent in polymer and coating formulations; its two quaternary ammonium centers enhance water compatibility and interaction with polar resins, while the disulfide moiety enables reversible crosslinking under redox conditions, supporting use in specialty adhesives and high-performance coatings. It may be considered as an intermediate in organic synthesis to introduce sulfur-containing linkages, and as a salt form compatible with cationic polymer systems in cleaning formulations or formulation development, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.01
    methanol 0.02
    isopropanol 0.0
    water 2.9
    ethyl acetate 0.01
    n-propanol 0.0
    acetone 0.01
    n-butanol 0.0
    acetonitrile 0.0
    DMF 0.22
    toluene 0.01
    isobutanol 0.0
    1,4-dioxane 0.02
    methyl acetate 0.0
    THF 0.03
    2-butanone 0.01
    n-pentanol 0.0
    sec-butanol 0.0
    n-hexane 0.0
    ethylene glycol 0.14
    NMP 1.75
    cyclohexane 0.01
    DMSO 1.68
    n-butyl acetate 0.02
    n-octanol 0.01
    chloroform 0.0
    n-propyl acetate 0.01
    acetic acid 0.17
    dichloromethane 0.0
    cyclohexanone 0.05
    propylene glycol 0.06
    isopropyl acetate 0.01
    DMAc 0.57
    2-ethoxyethanol 0.08
    isopentanol 0.01
    n-heptane 0.02
    ethyl formate 0.01
    1,2-dichloroethane 0.0
    n-hexanol 0.01
    2-methoxyethanol 0.14
    isobutyl acetate 0.0
    tetrachloromethane 0.0
    n-pentyl acetate 0.01
    transcutol 0.25
    n-heptanol 0.02
    ethylbenzene 0.01
    MIBK 0.01
    2-propoxyethanol 0.12
    tert-butanol 0.01
    MTBE 0.01
    2-butoxyethanol 0.11
    propionic acid 0.02
    o-xylene 0.02
    formic acid 1.54
    diethyl ether 0.0
    m-xylene 0.02
    p-xylene 0.01
    chlorobenzene 0.0
    dimethyl carbonate 0.03
    n-octane 0.01
    formamide 0.9
    cyclopentanone 0.06
    2-pentanone 0.01
    anisole 0.01
    cyclopentyl methyl ether 0.03
    gamma-butyrolactone 0.08
    1-methoxy-2-propanol 0.11
    pyridine 0.02
    3-pentanone 0.01
    furfural 0.26
    n-dodecane 0.0
    diethylene glycol 0.52
    diisopropyl ether 0.01
    tert-amyl alcohol 0.01
    acetylacetone 0.06
    n-hexadecane 0.0
    acetophenone 0.04
    methyl propionate 0.01
    isopentyl acetate 0.02
    trichloroethylene 0.01
    n-nonanol 0.01
    cyclohexanol 0.02
    benzyl alcohol 0.02
    2-ethylhexanol 0.02
    isooctanol 0.02
    dipropyl ether 0.02
    1,2-dichlorobenzene 0.01
    ethyl lactate 0.05
    propylene carbonate 0.07
    n-methylformamide 0.07
    2-pentanol 0.01
    n-pentane 0.0
    1-propoxy-2-propanol 0.11
    1-methoxy-2-propyl acetate 0.08
    2-(2-methoxypropoxy) propanol 0.21
    mesitylene 0.02
    ε-caprolactone 0.05
    p-cymene 0.03
    epichlorohydrin 0.02
    1,1,1-trichloroethane 0.0
    2-aminoethanol 0.07
    morpholine-4-carbaldehyde 0.64
    sulfolane 1.09
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.02
    n-hexyl acetate 0.01
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 0.21
    sec-butyl acetate 0.01
    tert-butyl acetate 0.03
    decalin 0.01
    glycerin 0.79
    diglyme 0.3
    acrylic acid 0.06
    isopropyl myristate 0.01
    n-butyric acid 0.03
    acetyl acetate 0.02
    di(2-ethylhexyl) phthalate 0.03
    ethyl propionate 0.01
    nitromethane 0.13
    1,2-diethoxyethane 0.02
    benzonitrile 0.01
    trioctyl phosphate 0.02
    1-bromopropane 0.0
    gamma-valerolactone 0.22
    n-decanol 0.01
    triethyl phosphate 0.05
    4-methyl-2-pentanol 0.01
    propionitrile 0.0
    vinylene carbonate 0.05
    1,1,2-trichlorotrifluoroethane 0.25
    DMS 0.03
    cumene 0.01
    2-octanol 0.01
    2-hexanone 0.01
    octyl acetate 0.01
    limonene 0.04
    1,2-dimethoxyethane 0.07
    ethyl orthosilicate 0.05
    tributyl phosphate 0.02
    diacetone alcohol 0.13
    N,N-dimethylaniline 0.04
    acrylonitrile 0.01
    aniline 0.01
    1,3-propanediol 0.05
    bromobenzene 0.0
    dibromomethane 0.0
    1,1,2,2-tetrachloroethane 0.01
    2-methyl-cyclohexyl acetate 0.03
    tetrabutyl urea 0.06
    diisobutyl methanol 0.03
    2-phenylethanol 0.03
    styrene 0.01
    dioctyl adipate 0.02
    dimethyl sulfate 0.18
    ethyl butyrate 0.02
    methyl lactate 0.12
    butyl lactate 0.07
    diethyl carbonate 0.02
    propanediol butyl ether 0.14
    triethyl orthoformate 0.05
    p-tert-butyltoluene 0.03
    methyl 4-tert-butylbenzoate 0.14
    morpholine 0.03
    tert-butylamine 0.01
    n-dodecanol 0.01
    dimethoxymethane 0.06
    ethylene carbonate 0.03
    cyrene 0.49
    2-ethoxyethyl acetate 0.03
    2-ethylhexyl acetate 0.02
    1,2,4-trichlorobenzene 0.01
    4-methylpyridine 0.01
    dibutyl ether 0.01
    2,6-dimethyl-4-heptanol 0.03
    DEF 0.06
    dimethyl isosorbide 0.45
    tetrachloroethylene 0.01
    eugenol 0.15
    triacetin 0.06
    span 80 0.17
    1,4-butanediol 0.03
    1,1-dichloroethane 0.0
    2-methyl-1-pentanol 0.01
    methyl formate 0.04
    2-methyl-1-butanol 0.0
    n-decane 0.0
    butyronitrile 0.0
    3,7-dimethyl-1-octanol 0.01
    1-chlorooctane 0.0
    1-chlorotetradecane 0.0
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 0.02
    tetrahydropyran 0.01
    tert-amyl methyl ether 0.01
    2,5,8-trioxanonane 0.39
    1-hexene 0.0
    2-isopropoxyethanol 0.04
    2,2,2-trifluoroethanol 0.22
    methyl butyrate 0.01

    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