L-Cystine, N,N'-bis(1-Oxooctyl)-, dimethyl ester

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  • Identifiers

    CAS number
    139416-29-8

    Molecular formula
    C24H44N2O6S2

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

    Safety labels

  • Odor profile

    Fragrance
    Savory 42.53%
    Meaty 39.48%
    Odorless 35.86%
    Cooling 28.12%
    Roasted 26.83%
    Fatty 25.7%
    Herbal 24.67%
    Peach 23.12%
    Oily 23.01%
    Cooked 22.79%

     

    Flavor
    Bland 39.19%
    Odorless 37.13%
    Bitter 31.47%
    Mild 26.57%
    Sweet-like 20.47%
    Cedarleaf 19.54%
    Parsley 19.4%
    Slightly waxy 19.31%
    Faint 19.18%
    Bay oil 19.17%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.4

    pKa est.
    6.87 (neutral)

    Molecular weight
    520.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    623°C

    Flash point

    • 258.31 ˚C est.

  • Synonyms

    • SCHEMBL2877923
    • DTXSID801021813
    • L-Cystine, N,N'-bis(1-Oxooctyl)-, dimethyl ester
    • 139416-29-8
    • 139416-29-8

  • Applications

    L-Cystine, N,N'-bis(1-Oxooctyl)-, dimethyl ester (CAS 139416-29-8) is primarily used as an intermediate and building block in organic synthesis and materials development, commonly evaluated as a protected cystine precursor for the synthesis of thiol- and disulfide-containing peptides and small molecules, and as a lipophilic diester that enables incorporation into redox-responsive polymers and hydrogel systems. In industrial manufacturing, it can function as a crosslinking or functionalization reagent for coatings, inks, and adhesives, enabling post-formulation modification or controlled release of active species. It also serves as a starting material for cosmetic/personal-care ingredient development after suitable deprotection, with use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.92
    methanol 3.97
    isopropanol 1.35
    water 0.09
    ethyl acetate 8.28
    n-propanol 2.2
    acetone 9.89
    n-butanol 1.85
    acetonitrile 3.65
    DMF 46.1
    toluene 4.16
    isobutanol 1.57
    1,4-dioxane 11.88
    methyl acetate 10.35
    THF 29.9
    2-butanone 11.77
    n-pentanol 2.49
    sec-butanol 2.31
    n-hexane 0.28
    ethylene glycol 0.77
    NMP 188.88
    cyclohexane 0.62
    DMSO 29.37
    n-butyl acetate 5.58
    n-octanol 2.4
    chloroform 37.0
    n-propyl acetate 7.41
    acetic acid 17.44
    dichloromethane 34.0
    cyclohexanone 36.75
    propylene glycol 1.38
    isopropyl acetate 6.73
    DMAc 143.61
    2-ethoxyethanol 11.27
    isopentanol 1.81
    n-heptane 0.21
    ethyl formate 6.56
    1,2-dichloroethane 16.09
    n-hexanol 1.34
    2-methoxyethanol 11.1
    isobutyl acetate 4.04
    tetrachloromethane 4.88
    n-pentyl acetate 9.98
    transcutol 55.86
    n-heptanol 1.99
    ethylbenzene 2.84
    MIBK 4.84
    2-propoxyethanol 7.92
    tert-butanol 1.98
    MTBE 3.33
    2-butoxyethanol 10.77
    propionic acid 8.01
    o-xylene 4.38
    formic acid 9.25
    diethyl ether 2.38
    m-xylene 2.64
    p-xylene 4.0
    chlorobenzene 8.46
    dimethyl carbonate 8.73
    n-octane 0.17
    formamide 16.63
    cyclopentanone 45.73
    2-pentanone 8.05
    anisole 7.41
    cyclopentyl methyl ether 11.41
    gamma-butyrolactone 56.29
    1-methoxy-2-propanol 9.21
    pyridine 19.28
    3-pentanone 9.73
    furfural 60.51
    n-dodecane 0.12
    diethylene glycol 5.47
    diisopropyl ether 0.96
    tert-amyl alcohol 3.46
    acetylacetone 18.9
    n-hexadecane 0.14
    acetophenone 16.93
    methyl propionate 10.74
    isopentyl acetate 5.73
    trichloroethylene 58.36
    n-nonanol 2.52
    cyclohexanol 4.58
    benzyl alcohol 7.28
    2-ethylhexanol 1.39
    isooctanol 1.78
    dipropyl ether 2.1
    1,2-dichlorobenzene 12.62
    ethyl lactate 6.9
    propylene carbonate 28.39
    n-methylformamide 14.82
    2-pentanol 1.44
    n-pentane 0.16
    1-propoxy-2-propanol 6.58
    1-methoxy-2-propyl acetate 11.21
    2-(2-methoxypropoxy) propanol 15.65
    mesitylene 1.62
    ε-caprolactone 39.85
    p-cymene 1.6
    epichlorohydrin 38.79
    1,1,1-trichloroethane 16.67
    2-aminoethanol 2.01
    morpholine-4-carbaldehyde 77.76
    sulfolane 119.08
    2,2,4-trimethylpentane 0.25
    2-methyltetrahydrofuran 17.5
    n-hexyl acetate 10.09
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 17.27
    sec-butyl acetate 5.73
    tert-butyl acetate 8.38
    decalin 0.54
    glycerin 4.07
    diglyme 44.73
    acrylic acid 10.14
    isopropyl myristate 2.68
    n-butyric acid 9.59
    acetyl acetate 10.32
    di(2-ethylhexyl) phthalate 5.16
    ethyl propionate 7.45
    nitromethane 41.72
    1,2-diethoxyethane 9.35
    benzonitrile 7.92
    trioctyl phosphate 2.79
    1-bromopropane 4.39
    gamma-valerolactone 81.96
    n-decanol 1.54
    triethyl phosphate 6.71
    4-methyl-2-pentanol 1.01
    propionitrile 2.97
    vinylene carbonate 25.47
    1,1,2-trichlorotrifluoroethane 54.85
    DMS 12.47
    cumene 2.03
    2-octanol 1.65
    2-hexanone 8.56
    octyl acetate 4.31
    limonene 2.48
    1,2-dimethoxyethane 20.49
    ethyl orthosilicate 5.86
    tributyl phosphate 4.22
    diacetone alcohol 11.01
    N,N-dimethylaniline 8.25
    acrylonitrile 5.56
    aniline 6.14
    1,3-propanediol 2.81
    bromobenzene 9.01
    dibromomethane 14.88
    1,1,2,2-tetrachloroethane 48.14
    2-methyl-cyclohexyl acetate 7.92
    tetrabutyl urea 8.0
    diisobutyl methanol 0.89
    2-phenylethanol 4.85
    styrene 3.48
    dioctyl adipate 7.05
    dimethyl sulfate 30.78
    ethyl butyrate 6.33
    methyl lactate 9.31
    butyl lactate 9.93
    diethyl carbonate 4.91
    propanediol butyl ether 10.27
    triethyl orthoformate 6.86
    p-tert-butyltoluene 1.5
    methyl 4-tert-butylbenzoate 18.18
    morpholine 17.97
    tert-butylamine 1.02
    n-dodecanol 0.97
    dimethoxymethane 13.4
    ethylene carbonate 17.57
    cyrene 28.97
    2-ethoxyethyl acetate 18.38
    2-ethylhexyl acetate 4.99
    1,2,4-trichlorobenzene 19.86
    4-methylpyridine 18.13
    dibutyl ether 3.0
    2,6-dimethyl-4-heptanol 0.89
    DEF 23.58
    dimethyl isosorbide 33.09
    tetrachloroethylene 28.89
    eugenol 15.56
    triacetin 23.2
    span 80 10.94
    1,4-butanediol 1.93
    1,1-dichloroethane 11.25
    2-methyl-1-pentanol 2.9
    methyl formate 11.52
    2-methyl-1-butanol 2.26
    n-decane 0.25
    butyronitrile 2.81
    3,7-dimethyl-1-octanol 1.86
    1-chlorooctane 1.63
    1-chlorotetradecane 0.5
    n-nonane 0.22
    undecane 0.16
    tert-butylcyclohexane 0.35
    cyclooctane 0.26
    cyclopentanol 6.39
    tetrahydropyran 9.2
    tert-amyl methyl ether 4.58
    2,5,8-trioxanonane 27.98
    1-hexene 1.09
    2-isopropoxyethanol 7.56
    2,2,2-trifluoroethanol 14.96
    methyl butyrate 11.68

    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