L-Cystine, 1,1'-dimethyl ester

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  • Identifiers

    CAS number
    1069-29-0

    Molecular formula
    C8H16N2O4S2

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

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 46.84%
    Meaty 44.99%
    Savory 41.63%
    Roasted 37.31%
    Odorless 32.44%
    Cooked 32.16%
    Onion 28.97%
    Sweet 28.57%
    Tropical 22.73%
    Alliaceous 22.15%

     

    Flavor
    Bitter 35.01%
    Odorless 33.24%
    Bland 29.85%
    Cooked 26.15%
    Mild 25.0%
    Roasted 23.38%
    Sulfury 22.01%
    Sweet-like 21.69%
    Scallion 20.78%
    Sulfurous 20.77%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.1

    pKa est.
    5.12 (weak acid)

    Molecular weight
    268.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    437°C

    Flash point

    • 185.6 ˚C est.

  • Synonyms

    • Cystine dimethyl ester
    • 1069-29-0
    • Dimethyl-L-cystine
    • CDME
    • VEO23D129R
    • L-CYSTINE, 1,1'-DIMETHYL ESTER
    • RefChem:130244
    • Dimethyl cystinate
    • methyl (2R)-2-amino-3-[[(2R)-2-amino-3-methoxy-3-oxopropyl]disulfanyl]propanoate
    • L-Cystine, dimethyl ester
    • UNII-VEO23D129R
    • CYSTINE, DIMETHYL ESTER
    • dimethyl L-cystinate
    • SCHEMBL111173
    • CHEMBL4228994
    • PD196659
    • DB-254502
    • Q27291789
    • dimethyl 3,3'-disulfanediyl(2R,2'R)-bis(2-aminopropanoate)
    • 1069-29-0

  • Applications

    L-Cystine, 1,1'-dimethyl ester, CAS 1069-29-0 is primarily used as a protected L-cystine building block in pharmaceutical synthesis, enabling peptide or peptidomimetic assembly while masking carboxyl groups. It also serves as a flexible intermediate for preparing cystine-containing compounds and disulfide-linked materials, including specialty polymers and biomaterials. In polymer science, it functions as a chiral precursor for biodegradable poly(amino acid)-type polymers and crosslinked networks. In cosmetics and personal care, it is occasionally explored as a chiral building block for cosmetic actives and formulation studies. These applications are typically pursued within R&D and small-scale production of high-value intermediates.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.62
    methanol 2.96
    isopropanol 0.18
    water 4.07
    ethyl acetate 0.36
    n-propanol 0.27
    acetone 0.47
    n-butanol 0.2
    acetonitrile 0.39
    DMF 7.67
    toluene 0.14
    isobutanol 0.16
    1,4-dioxane 1.02
    methyl acetate 0.37
    THF 2.2
    2-butanone 0.36
    n-pentanol 0.18
    sec-butanol 0.17
    n-hexane 0.02
    ethylene glycol 1.87
    NMP 27.62
    cyclohexane 0.08
    DMSO 34.15
    n-butyl acetate 0.31
    n-octanol 0.25
    chloroform 0.54
    n-propyl acetate 0.27
    acetic acid 8.12
    dichloromethane 0.72
    cyclohexanone 1.85
    propylene glycol 0.85
    isopropyl acetate 0.28
    DMAc 12.6
    2-ethoxyethanol 3.51
    isopentanol 0.2
    n-heptane 0.05
    ethyl formate 0.96
    1,2-dichloroethane 0.42
    n-hexanol 0.2
    2-methoxyethanol 6.26
    isobutyl acetate 0.12
    tetrachloromethane 0.16
    n-pentyl acetate 0.43
    transcutol 8.57
    n-heptanol 0.36
    ethylbenzene 0.13
    MIBK 0.26
    2-propoxyethanol 2.12
    tert-butanol 0.33
    MTBE 0.13
    2-butoxyethanol 2.02
    propionic acid 1.24
    o-xylene 0.28
    formic acid 33.48
    diethyl ether 0.12
    m-xylene 0.15
    p-xylene 0.19
    chlorobenzene 0.24
    dimethyl carbonate 0.69
    n-octane 0.03
    formamide 36.46
    cyclopentanone 2.98
    2-pentanone 0.28
    anisole 0.44
    cyclopentyl methyl ether 0.66
    gamma-butyrolactone 6.12
    1-methoxy-2-propanol 2.25
    pyridine 1.33
    3-pentanone 0.3
    furfural 13.46
    n-dodecane 0.02
    diethylene glycol 5.66
    diisopropyl ether 0.07
    tert-amyl alcohol 0.35
    acetylacetone 1.3
    n-hexadecane 0.02
    acetophenone 1.08
    methyl propionate 0.49
    isopentyl acetate 0.33
    trichloroethylene 1.11
    n-nonanol 0.29
    cyclohexanol 0.43
    benzyl alcohol 0.87
    2-ethylhexanol 0.19
    isooctanol 0.3
    dipropyl ether 0.25
    1,2-dichlorobenzene 0.46
    ethyl lactate 0.96
    propylene carbonate 3.17
    n-methylformamide 4.9
    2-pentanol 0.11
    n-pentane 0.02
    1-propoxy-2-propanol 1.23
    1-methoxy-2-propyl acetate 1.01
    2-(2-methoxypropoxy) propanol 3.0
    mesitylene 0.16
    ε-caprolactone 2.35
    p-cymene 0.21
    epichlorohydrin 2.41
    1,1,1-trichloroethane 0.19
    2-aminoethanol 2.01
    morpholine-4-carbaldehyde 16.01
    sulfolane 25.25
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 0.79
    n-hexyl acetate 0.43
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 3.58
    sec-butyl acetate 0.17
    tert-butyl acetate 0.44
    decalin 0.05
    glycerin 5.15
    diglyme 7.61
    acrylic acid 3.08
    isopropyl myristate 0.19
    n-butyric acid 1.19
    acetyl acetate 0.81
    di(2-ethylhexyl) phthalate 0.69
    ethyl propionate 0.35
    nitromethane 9.91
    1,2-diethoxyethane 0.63
    benzonitrile 0.65
    trioctyl phosphate 0.4
    1-bromopropane 0.1
    gamma-valerolactone 10.87
    n-decanol 0.21
    triethyl phosphate 0.82
    4-methyl-2-pentanol 0.11
    propionitrile 0.22
    vinylene carbonate 3.41
    1,1,2-trichlorotrifluoroethane 10.01
    DMS 0.82
    cumene 0.13
    2-octanol 0.19
    2-hexanone 0.23
    octyl acetate 0.31
    limonene 0.28
    1,2-dimethoxyethane 3.32
    ethyl orthosilicate 0.69
    tributyl phosphate 0.47
    diacetone alcohol 1.34
    N,N-dimethylaniline 0.66
    acrylonitrile 0.66
    aniline 0.5
    1,3-propanediol 1.86
    bromobenzene 0.19
    dibromomethane 0.36
    1,1,2,2-tetrachloroethane 0.99
    2-methyl-cyclohexyl acetate 0.65
    tetrabutyl urea 0.97
    diisobutyl methanol 0.19
    2-phenylethanol 0.72
    styrene 0.14
    dioctyl adipate 0.57
    dimethyl sulfate 4.12
    ethyl butyrate 0.49
    methyl lactate 1.98
    butyl lactate 1.08
    diethyl carbonate 0.5
    propanediol butyl ether 2.2
    triethyl orthoformate 0.68
    p-tert-butyltoluene 0.21
    methyl 4-tert-butylbenzoate 2.16
    morpholine 1.63
    tert-butylamine 0.16
    n-dodecanol 0.16
    dimethoxymethane 1.86
    ethylene carbonate 1.87
    cyrene 6.79
    2-ethoxyethyl acetate 1.09
    2-ethylhexyl acetate 0.26
    1,2,4-trichlorobenzene 0.73
    4-methylpyridine 0.8
    dibutyl ether 0.18
    2,6-dimethyl-4-heptanol 0.19
    DEF 1.29
    dimethyl isosorbide 6.58
    tetrachloroethylene 1.15
    eugenol 2.59
    triacetin 1.87
    span 80 2.16
    1,4-butanediol 0.93
    1,1-dichloroethane 0.13
    2-methyl-1-pentanol 0.21
    methyl formate 3.57
    2-methyl-1-butanol 0.19
    n-decane 0.03
    butyronitrile 0.21
    3,7-dimethyl-1-octanol 0.23
    1-chlorooctane 0.1
    1-chlorotetradecane 0.05
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.03
    cyclooctane 0.04
    cyclopentanol 0.67
    tetrahydropyran 0.38
    tert-amyl methyl ether 0.2
    2,5,8-trioxanonane 6.59
    1-hexene 0.04
    2-isopropoxyethanol 1.18
    2,2,2-trifluoroethanol 6.76
    methyl butyrate 0.58

    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