Diethyl dimercaptosuccinate

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  • Identifiers

    CAS number
    17660-58-1

    Molecular formula
    C8H14O4S2

    SMILES
    CCOC(=O)CC(C(=O)OCC)(S)S

    Safety labels

  • Odor profile

    Fragrance
    Fruity 69.57%
    Sulfurous 61.62%
    Tropical 49.67%
    Meaty 40.1%
    Roasted 34.34%
    Grape 34.33%
    Onion 32.57%
    Black currant 30.09%
    Green 28.55%
    Savory 28.0%

     

    Flavor
    Fruity 58.21%
    Odorless 32.04%
    Mild 31.58%
    Bitter 31.44%
    Grape 23.74%
    Bland 23.02%
    Marshmallow 21.96%
    Yeast 21.77%
    Sweet-like 21.7%
    Dried berry 21.53%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    4.6 (weak acid)

    Molecular weight
    238.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    272°C

    Flash point

    • 110.24 ˚C est.

  • Synonyms

    • Diethyl dimercaptosuccinate
    • DTXSID70170163
    • DEDMS
    • RefChem:133412
    • DTXCID1092654
    • 17660-58-1
    • diethyl 2,2-bis(sulfanyl)butanedioate
    • Diethyl 2,3-dimercaptosuccinate
    • 2,3-Dimercaptosuccinic acid, diethyl ester
    • 2,3-Dimercaptobutanedioic acid, diethyl ester
    • Butanedioic acid, 2,3-dimercapto-, diethyl ester
    • Succinic acid, 2,3-dimercapto-, diethyl ester
    • SCHEMBL4654659
    • 17660-58-1

  • Applications

    Diethyl dimercaptosuccinate, CAS 17660-58-1, is a protected bis-thiol building block commonly used as a precursor for chelating ligand derivatives based on dimercaptosuccinic acid and metal-binding compounds; in polymer and coating technology, it can function as a difunctional thiol crosslinking/curing component after deprotection; in metal finishing and water treatment contexts, it is used as a chelating or metal-binding additive to improve stability and process control; in analytical chemistry and ligand synthesis, it is evaluated as a precursor for chelating agents.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 238.56
    methanol 348.15
    isopropanol 170.49
    water 2.76
    ethyl acetate 451.32
    n-propanol 150.67
    acetone 1119.4
    n-butanol 133.66
    acetonitrile 708.44
    DMF 2685.67
    toluene 159.45
    isobutanol 112.36
    1,4-dioxane 573.29
    methyl acetate 658.2
    THF 867.36
    2-butanone 618.26
    n-pentanol 125.29
    sec-butanol 184.24
    n-hexane 17.44
    ethylene glycol 96.2
    NMP 2069.27
    cyclohexane 23.95
    DMSO 2487.92
    n-butyl acetate 234.49
    n-octanol 68.93
    chloroform 1100.55
    n-propyl acetate 321.74
    acetic acid 834.01
    dichloromethane 1152.06
    cyclohexanone 701.6
    propylene glycol 91.95
    isopropyl acetate 252.21
    DMAc 2196.6
    2-ethoxyethanol 384.84
    isopentanol 126.14
    n-heptane 7.27
    ethyl formate 404.49
    1,2-dichloroethane 727.4
    n-hexanol 89.14
    2-methoxyethanol 622.82
    isobutyl acetate 140.6
    tetrachloromethane 120.64
    n-pentyl acetate 147.46
    transcutol 656.51
    n-heptanol 48.12
    ethylbenzene 126.56
    MIBK 194.87
    2-propoxyethanol 245.56
    tert-butanol 266.22
    MTBE 288.64
    2-butoxyethanol 140.23
    propionic acid 344.48
    o-xylene 136.9
    formic acid 489.8
    diethyl ether 241.02
    m-xylene 109.06
    p-xylene 176.5
    chlorobenzene 329.09
    dimethyl carbonate 337.55
    n-octane 4.68
    formamide 934.45
    cyclopentanone 1052.24
    2-pentanone 411.93
    anisole 356.65
    cyclopentyl methyl ether 335.56
    gamma-butyrolactone 1407.25
    1-methoxy-2-propanol 380.12
    pyridine 614.72
    3-pentanone 369.61
    furfural 1236.54
    n-dodecane 4.8
    diethylene glycol 250.61
    diisopropyl ether 65.66
    tert-amyl alcohol 255.41
    acetylacetone 732.44
    n-hexadecane 5.63
    acetophenone 495.29
    methyl propionate 458.09
    isopentyl acetate 177.47
    trichloroethylene 1670.75
    n-nonanol 61.02
    cyclohexanol 183.79
    benzyl alcohol 289.91
    2-ethylhexanol 64.44
    isooctanol 41.12
    dipropyl ether 81.38
    1,2-dichlorobenzene 365.95
    ethyl lactate 164.99
    propylene carbonate 708.5
    n-methylformamide 941.08
    2-pentanol 104.8
    n-pentane 13.11
    1-propoxy-2-propanol 156.81
    1-methoxy-2-propyl acetate 245.91
    2-(2-methoxypropoxy) propanol 197.09
    mesitylene 59.93
    ε-caprolactone 647.38
    p-cymene 51.06
    epichlorohydrin 1131.06
    1,1,1-trichloroethane 570.2
    2-aminoethanol 146.79
    morpholine-4-carbaldehyde 1340.86
    sulfolane 1690.18
    2,2,4-trimethylpentane 11.51
    2-methyltetrahydrofuran 591.47
    n-hexyl acetate 206.69
    isooctane 5.45
    2-(2-butoxyethoxy)ethanol 218.35
    sec-butyl acetate 186.49
    tert-butyl acetate 255.35
    decalin 21.18
    glycerin 200.05
    diglyme 521.34
    acrylic acid 413.73
    isopropyl myristate 72.67
    n-butyric acid 353.36
    acetyl acetate 399.96
    di(2-ethylhexyl) phthalate 96.63
    ethyl propionate 278.95
    nitromethane 2291.12
    1,2-diethoxyethane 192.01
    benzonitrile 378.24
    trioctyl phosphate 61.11
    1-bromopropane 270.41
    gamma-valerolactone 1264.47
    n-decanol 44.18
    triethyl phosphate 118.47
    4-methyl-2-pentanol 59.12
    propionitrile 297.84
    vinylene carbonate 676.61
    1,1,2-trichlorotrifluoroethane 878.79
    DMS 297.43
    cumene 77.45
    2-octanol 41.63
    2-hexanone 288.72
    octyl acetate 101.57
    limonene 75.7
    1,2-dimethoxyethane 734.53
    ethyl orthosilicate 96.57
    tributyl phosphate 88.04
    diacetone alcohol 286.02
    N,N-dimethylaniline 275.08
    acrylonitrile 545.41
    aniline 260.23
    1,3-propanediol 203.93
    bromobenzene 324.24
    dibromomethane 656.36
    1,1,2,2-tetrachloroethane 1141.49
    2-methyl-cyclohexyl acetate 154.01
    tetrabutyl urea 129.7
    diisobutyl methanol 39.54
    2-phenylethanol 168.95
    styrene 175.91
    dioctyl adipate 139.42
    dimethyl sulfate 794.58
    ethyl butyrate 175.56
    methyl lactate 247.1
    butyl lactate 132.6
    diethyl carbonate 151.79
    propanediol butyl ether 162.33
    triethyl orthoformate 117.4
    p-tert-butyltoluene 47.18
    methyl 4-tert-butylbenzoate 226.21
    morpholine 709.5
    tert-butylamine 128.71
    n-dodecanol 33.06
    dimethoxymethane 695.53
    ethylene carbonate 490.3
    cyrene 343.55
    2-ethoxyethyl acetate 247.45
    2-ethylhexyl acetate 146.79
    1,2,4-trichlorobenzene 499.12
    4-methylpyridine 782.58
    dibutyl ether 82.81
    2,6-dimethyl-4-heptanol 39.54
    DEF 725.03
    dimethyl isosorbide 369.31
    tetrachloroethylene 659.93
    eugenol 207.47
    triacetin 303.52
    span 80 145.41
    1,4-butanediol 100.17
    1,1-dichloroethane 607.44
    2-methyl-1-pentanol 137.14
    methyl formate 796.75
    2-methyl-1-butanol 137.18
    n-decane 8.17
    butyronitrile 250.23
    3,7-dimethyl-1-octanol 67.76
    1-chlorooctane 51.3
    1-chlorotetradecane 19.95
    n-nonane 7.48
    undecane 6.04
    tert-butylcyclohexane 15.7
    cyclooctane 7.97
    cyclopentanol 234.04
    tetrahydropyran 384.63
    tert-amyl methyl ether 251.01
    2,5,8-trioxanonane 330.62
    1-hexene 78.13
    2-isopropoxyethanol 236.76
    2,2,2-trifluoroethanol 413.74
    methyl butyrate 411.5

    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