Butanedioic acid, 1,4-bis(2-mercaptoethyl) ester

Overview IFRA Request a quote

  • Identifiers

    CAS number
    60642-67-3

    Molecular formula
    C8H14O4S2

    SMILES
    C(CC(=O)OCCS)C(=O)OCCS

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 74.68%
    Meaty 59.59%
    Savory 46.05%
    Roasted 45.18%
    Tropical 38.72%
    Onion 35.02%
    Cooked 30.8%
    Fruity 29.82%
    Alliaceous 29.69%
    Cheesy 26.55%

     

    Flavor
    Fruity 48.33%
    Odorless 39.42%
    Fatty 31.03%
    Sweet 29.82%
    Creamy 29.63%
    Mild 29.51%
    Very mild 25.58%
    Musty 25.4%
    Grape 25.24%
    Yeast 25.04%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    7.48 (neutral)

    Molecular weight
    238.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    342°C

    Flash point

    • 149.11 ˚C est.

  • Synonyms

    • 60642-67-3
    • Butanedioic acid, bis(2-mercaptoethyl) ester
    • EINECS 262-340-8
    • Butanedioic acid, 1,4-bis(2-mercaptoethyl) ester
    • Bis(2-mercaptoethyl) 1,4-butanedioate
    • DTXSID40886406
    • RefChem:570793
    • DTXCID201025736
    • Bis(2-mercaptoethyl) succinate
    • bis(2-sulfanylethyl) butanedioate
    • 1,4-BIS(2-SULFANYLETHYL) BUTANEDIOATE
    • SCHEMBL209595
    • KHPRKIZSQDCBGN-UHFFFAOYSA-N
    • DB-318764
    • NS00054258
    • 60642-67-3

  • Applications

    Butanedioic acid, 1,4-bis(2-mercaptoethyl) ester (CAS 60642-67-3) is a multi-functional thiol-containing crosslinker used in polymer formulations. In epoxy systems it participates in thiol-epoxy curing to form a network suitable for coatings, paints, and adhesives. As a multi-functional building block, it is employed to synthesize sulfur-containing polymers and resins, including epoxy and polyurethane systems, and can act as a precursor for specialty resins and sealants containing sulfur. It may also serve as an intermediate in organosulfur compound synthesis for electronic and industrial coating applications, with uses governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 58.83
    methanol 114.65
    isopropanol 37.36
    water 3.63
    ethyl acetate 146.63
    n-propanol 31.59
    acetone 407.76
    n-butanol 24.72
    acetonitrile 333.36
    DMF 1114.9
    toluene 39.64
    isobutanol 23.7
    1,4-dioxane 223.82
    methyl acetate 270.56
    THF 300.11
    2-butanone 204.13
    n-pentanol 30.35
    sec-butanol 33.91
    n-hexane 6.53
    ethylene glycol 27.82
    NMP 988.01
    cyclohexane 6.98
    DMSO 1784.1
    n-butyl acetate 83.66
    n-octanol 18.34
    chloroform 269.19
    n-propyl acetate 118.44
    acetic acid 350.4
    dichloromethane 387.73
    cyclohexanone 234.72
    propylene glycol 18.34
    isopropyl acetate 79.29
    DMAc 1266.06
    2-ethoxyethanol 157.73
    isopentanol 27.47
    n-heptane 3.7
    ethyl formate 149.13
    1,2-dichloroethane 259.5
    n-hexanol 16.84
    2-methoxyethanol 208.04
    isobutyl acetate 51.84
    tetrachloromethane 28.46
    n-pentyl acetate 49.85
    transcutol 426.53
    n-heptanol 11.43
    ethylbenzene 38.86
    MIBK 58.46
    2-propoxyethanol 78.05
    tert-butanol 61.02
    MTBE 80.67
    2-butoxyethanol 52.18
    propionic acid 111.81
    o-xylene 45.28
    formic acid 202.08
    diethyl ether 68.07
    m-xylene 28.03
    p-xylene 61.66
    chlorobenzene 95.13
    dimethyl carbonate 114.65
    n-octane 2.35
    formamide 494.66
    cyclopentanone 385.83
    2-pentanone 108.13
    anisole 134.85
    cyclopentyl methyl ether 91.51
    gamma-butyrolactone 588.0
    1-methoxy-2-propanol 106.63
    pyridine 286.62
    3-pentanone 116.9
    furfural 671.85
    n-dodecane 2.33
    diethylene glycol 91.3
    diisopropyl ether 21.71
    tert-amyl alcohol 55.71
    acetylacetone 295.28
    n-hexadecane 2.68
    acetophenone 208.84
    methyl propionate 143.64
    isopentyl acetate 68.17
    trichloroethylene 571.12
    n-nonanol 18.4
    cyclohexanol 34.2
    benzyl alcohol 91.64
    2-ethylhexanol 16.84
    isooctanol 11.47
    dipropyl ether 35.01
    1,2-dichlorobenzene 114.05
    ethyl lactate 67.21
    propylene carbonate 250.33
    n-methylformamide 359.2
    2-pentanol 19.09
    n-pentane 3.7
    1-propoxy-2-propanol 54.13
    1-methoxy-2-propyl acetate 97.68
    2-(2-methoxypropoxy) propanol 104.02
    mesitylene 19.24
    ε-caprolactone 230.29
    p-cymene 20.02
    epichlorohydrin 458.25
    1,1,1-trichloroethane 157.67
    2-aminoethanol 42.84
    morpholine-4-carbaldehyde 649.19
    sulfolane 832.99
    2,2,4-trimethylpentane 3.73
    2-methyltetrahydrofuran 173.11
    n-hexyl acetate 67.25
    isooctane 1.65
    2-(2-butoxyethoxy)ethanol 105.63
    sec-butyl acetate 66.29
    tert-butyl acetate 86.92
    decalin 7.49
    glycerin 52.32
    diglyme 316.2
    acrylic acid 170.75
    isopropyl myristate 29.17
    n-butyric acid 93.41
    acetyl acetate 172.96
    di(2-ethylhexyl) phthalate 39.51
    ethyl propionate 105.49
    nitromethane 1212.71
    1,2-diethoxyethane 111.4
    benzonitrile 142.29
    trioctyl phosphate 22.2
    1-bromopropane 72.84
    gamma-valerolactone 571.16
    n-decanol 13.85
    triethyl phosphate 62.13
    4-methyl-2-pentanol 13.94
    propionitrile 102.47
    vinylene carbonate 260.53
    1,1,2-trichlorotrifluoroethane 360.87
    DMS 132.01
    cumene 27.99
    2-octanol 10.3
    2-hexanone 104.58
    octyl acetate 36.57
    limonene 27.47
    1,2-dimethoxyethane 394.93
    ethyl orthosilicate 50.16
    tributyl phosphate 38.47
    diacetone alcohol 97.03
    N,N-dimethylaniline 108.5
    acrylonitrile 211.0
    aniline 72.1
    1,3-propanediol 52.17
    bromobenzene 92.29
    dibromomethane 189.54
    1,1,2,2-tetrachloroethane 351.38
    2-methyl-cyclohexyl acetate 68.82
    tetrabutyl urea 64.86
    diisobutyl methanol 14.05
    2-phenylethanol 49.05
    styrene 62.14
    dioctyl adipate 69.17
    dimethyl sulfate 342.04
    ethyl butyrate 80.23
    methyl lactate 88.59
    butyl lactate 50.08
    diethyl carbonate 74.12
    propanediol butyl ether 55.44
    triethyl orthoformate 60.93
    p-tert-butyltoluene 17.55
    methyl 4-tert-butylbenzoate 97.08
    morpholine 238.52
    tert-butylamine 32.05
    n-dodecanol 11.12
    dimethoxymethane 236.83
    ethylene carbonate 174.33
    cyrene 145.82
    2-ethoxyethyl acetate 100.8
    2-ethylhexyl acetate 57.43
    1,2,4-trichlorobenzene 159.01
    4-methylpyridine 267.85
    dibutyl ether 39.66
    2,6-dimethyl-4-heptanol 14.05
    DEF 262.8
    dimethyl isosorbide 204.99
    tetrachloroethylene 211.08
    eugenol 90.35
    triacetin 154.79
    span 80 65.11
    1,4-butanediol 31.99
    1,1-dichloroethane 156.06
    2-methyl-1-pentanol 34.92
    methyl formate 305.94
    2-methyl-1-butanol 26.63
    n-decane 3.7
    butyronitrile 74.36
    3,7-dimethyl-1-octanol 21.34
    1-chlorooctane 15.93
    1-chlorotetradecane 7.56
    n-nonane 3.38
    undecane 2.84
    tert-butylcyclohexane 5.53
    cyclooctane 2.81
    cyclopentanol 52.14
    tetrahydropyran 104.9
    tert-amyl methyl ether 67.7
    2,5,8-trioxanonane 216.25
    1-hexene 23.88
    2-isopropoxyethanol 94.11
    2,2,2-trifluoroethanol 190.45
    methyl butyrate 159.93

    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