Dimethyl diacetyl cystinate

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  • Identifiers

    CAS number
    32381-28-5

    Molecular formula
    C12H20N2O6S2

    SMILES
    CC(=O)N[C@@H](CSSC[C@@H](C(=O)OC)NC(=O)C)C(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Meaty 50.88%
    Savory 44.7%
    Odorless 38.76%
    Roasted 38.69%
    Cooked 32.77%
    Sulfurous 31.34%
    Sweet 25.42%
    Onion 22.0%
    Milky 20.76%
    Fruity 20.28%

     

    Flavor
    Odorless 41.04%
    Bitter 37.12%
    Bland 28.8%
    Mild 26.22%
    Cooked 25.53%
    Very mild 23.88%
    Roasted 21.63%
    Sweet-like 20.97%
    Fruity 20.74%
    Yeast 20.35%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    5.65 (weak acid)

    Molecular weight
    352.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    575°C

    Flash point

    • 245.34 ˚C est.

  • Synonyms

    • 32381-28-5
    • Dimethyl diacetyl cystinate
    • n,n'-diacetylcystine dimethyl ester
    • F222I95KYZ
    • L-N,N'-Diacetylcystine dimethyl ester
    • NSC-136019
    • UNII-F222I95KYZ
    • L-Cystine, N,N'-diacetyl-, 1,1'-dimethyl ester
    • RefChem:200609
    • DIMETHYL DIACETYL CYSTINATE [INCI]
    • (Ac-Cys-OMe)2
    • MFCD00083613
    • (AC-CYS-OME)2 (DISULFIDE BOND)
    • n,n'-diacetyl-l-cystine dimethyl ester
    • methyl (2R)-2-acetamido-3-[[(2R)-2-acetamido-3-methoxy-3-oxopropyl]disulfanyl]propanoate
    • C12H20N2O6S2
    • Dimethyl (2R,2'R)-3,3'-disulfanediylbis(2-acetamidopropanoate)
    • dimethyl 3,3'-disulfanediyl(2R,2'R)-bis(2-acetamidopropanoate)
    • 139612-43-4
    • (Ac-Cys-OMe)?
    • orb1697416
    • SCHEMBL2872923
    • Acetyl-L-cystine dimethyl ester
    • ZTTORBNKJFMGIM-UWVGGRQHSA-N
    • DTXSID601021493
    • AKOS027251079
    • FD21226
    • AS-49002
    • SY398093
    • F475310
    • Q27277527
    • (2R,2'R)-Dimethyl3,3'-disulfanediylbis(2-acetamidopropanoate)
    • (2R,2'R)-Dimethyl 3,3'-disulfanediylbis(2-acetamidopropanoate)
    • methyl (2R)-2-acetamido-3-[[(2R)-2-acetamido-3-methoxy-3-oxo-propyl]disulfanyl]propanoate
    • methyl 2-acetamido-3-[(2-acetamido-3-methoxy-3-oxopropyl)disulfanyl]propanoate
    • N,N'-Diacetyl-L-cystine 1,1'-dimethyl ester; Cystine, N,N'-diacetyl-, dimethyl ester, L- (6CI,7CI,8CI); L-Cystine, N,N'-diacetyl-, dimethyl ester (9CI); L-N,N'-Diacetylcystine dimethyl ester; N,N'-Diacetylcystine dimethyl ester; NSC 136019
    • 139612-43-4

  • Applications

    Dimethyl diacetyl cystinate (CAS 32381-28-5) is primarily used as an organic synthesis intermediate and as a functional additive in polymer formulations to aid processing and performance. It can act as a stabilizer or processing aid in plastics and resins, helping to extend shelf life and enhance durability. In coatings, inks, and adhesive systems, it serves as a chelating agent for metal ions and as a coupling/compatibilizing agent to improve interfacial adhesion between components. It is also used as a processing aid or reagent in chemical manufacturing, where its diacetyl cystinate moiety participates in subsequent transformations. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.89
    methanol 6.46
    isopropanol 1.44
    water 0.84
    ethyl acetate 3.9
    n-propanol 1.55
    acetone 8.7
    n-butanol 1.01
    acetonitrile 6.8
    DMF 70.04
    toluene 1.07
    isobutanol 0.94
    1,4-dioxane 16.13
    methyl acetate 7.27
    THF 28.42
    2-butanone 6.16
    n-pentanol 1.41
    sec-butanol 1.45
    n-hexane 0.17
    ethylene glycol 1.34
    NMP 129.87
    cyclohexane 0.4
    DMSO 88.34
    n-butyl acetate 2.06
    n-octanol 1.14
    chloroform 7.4
    n-propyl acetate 3.34
    acetic acid 13.73
    dichloromethane 11.22
    cyclohexanone 16.82
    propylene glycol 1.04
    isopropyl acetate 2.0
    DMAc 122.6
    2-ethoxyethanol 13.16
    isopentanol 0.89
    n-heptane 0.13
    ethyl formate 7.09
    1,2-dichloroethane 6.29
    n-hexanol 0.67
    2-methoxyethanol 17.68
    isobutyl acetate 1.5
    tetrachloromethane 0.66
    n-pentyl acetate 1.73
    transcutol 22.91
    n-heptanol 0.79
    ethylbenzene 1.16
    MIBK 1.57
    2-propoxyethanol 6.66
    tert-butanol 1.94
    MTBE 1.88
    2-butoxyethanol 4.38
    propionic acid 3.97
    o-xylene 1.5
    formic acid 19.82
    diethyl ether 1.99
    m-xylene 0.67
    p-xylene 2.12
    chlorobenzene 2.24
    dimethyl carbonate 4.65
    n-octane 0.1
    formamide 43.05
    cyclopentanone 25.27
    2-pentanone 2.87
    anisole 5.57
    cyclopentyl methyl ether 5.28
    gamma-butyrolactone 41.76
    1-methoxy-2-propanol 7.43
    pyridine 17.22
    3-pentanone 3.33
    furfural 56.44
    n-dodecane 0.08
    diethylene glycol 7.24
    diisopropyl ether 0.38
    tert-amyl alcohol 2.31
    acetylacetone 7.89
    n-hexadecane 0.09
    acetophenone 9.27
    methyl propionate 4.98
    isopentyl acetate 2.06
    trichloroethylene 13.46
    n-nonanol 1.18
    cyclohexanol 2.08
    benzyl alcohol 5.61
    2-ethylhexanol 0.63
    isooctanol 0.66
    dipropyl ether 1.49
    1,2-dichlorobenzene 2.98
    ethyl lactate 3.64
    propylene carbonate 14.59
    n-methylformamide 21.79
    2-pentanol 0.56
    n-pentane 0.09
    1-propoxy-2-propanol 4.1
    1-methoxy-2-propyl acetate 4.26
    2-(2-methoxypropoxy) propanol 9.8
    mesitylene 0.49
    ε-caprolactone 17.21
    p-cymene 0.65
    epichlorohydrin 26.29
    1,1,1-trichloroethane 2.19
    2-aminoethanol 2.47
    morpholine-4-carbaldehyde 74.97
    sulfolane 71.32
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 12.8
    n-hexyl acetate 2.6
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 8.95
    sec-butyl acetate 1.76
    tert-butyl acetate 2.32
    decalin 0.23
    glycerin 3.85
    diglyme 24.47
    acrylic acid 6.23
    isopropyl myristate 1.07
    n-butyric acid 3.44
    acetyl acetate 4.16
    di(2-ethylhexyl) phthalate 2.42
    ethyl propionate 3.66
    nitromethane 46.04
    1,2-diethoxyethane 4.34
    benzonitrile 5.55
    trioctyl phosphate 1.21
    1-bromopropane 1.6
    gamma-valerolactone 59.88
    n-decanol 0.84
    triethyl phosphate 3.39
    4-methyl-2-pentanol 0.35
    propionitrile 3.17
    vinylene carbonate 14.87
    1,1,2-trichlorotrifluoroethane 25.27
    DMS 4.75
    cumene 0.86
    2-octanol 0.6
    2-hexanone 3.8
    octyl acetate 1.57
    limonene 0.9
    1,2-dimethoxyethane 33.83
    ethyl orthosilicate 2.94
    tributyl phosphate 1.82
    diacetone alcohol 4.29
    N,N-dimethylaniline 5.78
    acrylonitrile 6.53
    aniline 3.36
    1,3-propanediol 3.03
    bromobenzene 1.81
    dibromomethane 4.74
    1,1,2,2-tetrachloroethane 10.89
    2-methyl-cyclohexyl acetate 3.7
    tetrabutyl urea 4.24
    diisobutyl methanol 0.42
    2-phenylethanol 2.93
    styrene 1.47
    dioctyl adipate 2.89
    dimethyl sulfate 16.15
    ethyl butyrate 3.09
    methyl lactate 4.72
    butyl lactate 2.75
    diethyl carbonate 2.9
    propanediol butyl ether 4.49
    triethyl orthoformate 3.5
    p-tert-butyltoluene 0.57
    methyl 4-tert-butylbenzoate 5.93
    morpholine 20.82
    tert-butylamine 0.98
    n-dodecanol 0.61
    dimethoxymethane 16.67
    ethylene carbonate 9.26
    cyrene 18.18
    2-ethoxyethyl acetate 4.05
    2-ethylhexyl acetate 1.75
    1,2,4-trichlorobenzene 4.88
    4-methylpyridine 12.69
    dibutyl ether 1.56
    2,6-dimethyl-4-heptanol 0.42
    DEF 13.14
    dimethyl isosorbide 20.56
    tetrachloroethylene 6.15
    eugenol 7.02
    triacetin 5.76
    span 80 4.77
    1,4-butanediol 1.77
    1,1-dichloroethane 2.35
    2-methyl-1-pentanol 1.42
    methyl formate 18.29
    2-methyl-1-butanol 0.99
    n-decane 0.15
    butyronitrile 2.62
    3,7-dimethyl-1-octanol 0.91
    1-chlorooctane 0.59
    1-chlorotetradecane 0.24
    n-nonane 0.13
    undecane 0.11
    tert-butylcyclohexane 0.14
    cyclooctane 0.13
    cyclopentanol 3.54
    tetrahydropyran 6.59
    tert-amyl methyl ether 2.13
    2,5,8-trioxanonane 18.91
    1-hexene 0.59
    2-isopropoxyethanol 6.34
    2,2,2-trifluoroethanol 10.09
    methyl butyrate 5.98

    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