Decanedioic acid, 1,10-bis(2-mercaptoethyl) ester

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  • Identifiers

    CAS number
    60642-69-5

    Molecular formula
    C14H26O4S2

    SMILES
    C(CCCCC(=O)OCCS)CCCC(=O)OCCS

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 53.32%
    Meaty 45.49%
    Savory 40.79%
    Tropical 36.01%
    Roasted 35.7%
    Fatty 35.54%
    Fruity 35.32%
    Peach 27.73%
    Cooked 24.11%
    Cheesy 23.81%

     

    Flavor
    Fruity 59.76%
    Fatty 38.24%
    Waxy 35.93%
    Cheese 32.92%
    Oily 32.08%
    Sweet 30.11%
    Tropical 29.95%
    Odorless 29.84%
    Creamy 29.11%
    Mild 28.69%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    6.63 (neutral)

    Molecular weight
    322.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    401°C

    Flash point

    • 170.81 ˚C est.

  • Synonyms

    • EINECS 262-342-9
    • Bis(2-mercaptoethyl) 1,10-decanedioate
    • Decanedioic acid, 1,10-bis(2-mercaptoethyl) ester
    • RefChem:585379
    • 60642-69-5
    • Bis(2-mercaptoethyl) sebacate
    • Decanedioic acid, bis(2-mercaptoethyl) ester
    • bis(2-sulfanylethyl) decanedioate
    • Bis-(2-mercaptoethyl)sebacate
    • DTXSID5069417
    • SCHEMBL11165289
    • ZQYBCMFYQIVHKA-UHFFFAOYSA-N
    • DB-254013
    • NS00034416
    • 60642-69-5

  • Applications

    Decanedioic acid, 1,10-bis(2-mercaptoethyl) ester (CAS 60642-69-5) is a diester bearing two terminal thiol groups, acting as a reactive crosslinking agent in polymer chemistry. In coatings and adhesives, it participates in thiol-ene and thiol-epoxy chemistry to form thioether networks, enabling durable UV-curable coatings, sealants, and high-performance laminates. In polyurethane and polyurethane systems, it can function as a thiol-containing curing or chain-extending component to increase network density and mechanical properties. It also serves as a versatile intermediate for preparing thiol-terminated polymers and specialized crosslinkers for electronics encapsulation and potting compounds. Its reactivity is typically harnessed under appropriate catalysts and formulation limits, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 20.97
    methanol 42.31
    isopropanol 14.64
    water 0.21
    ethyl acetate 43.82
    n-propanol 15.93
    acetone 95.82
    n-butanol 13.63
    acetonitrile 44.1
    DMF 234.49
    toluene 27.24
    isobutanol 12.29
    1,4-dioxane 82.61
    methyl acetate 54.03
    THF 197.68
    2-butanone 63.5
    n-pentanol 18.62
    sec-butanol 15.52
    n-hexane 2.46
    ethylene glycol 6.03
    NMP 359.05
    cyclohexane 6.52
    DMSO 472.59
    n-butyl acetate 43.0
    n-octanol 15.7
    chloroform 238.44
    n-propyl acetate 55.32
    acetic acid 101.79
    dichloromethane 268.34
    cyclohexanone 180.7
    propylene glycol 9.29
    isopropyl acetate 35.85
    DMAc 354.31
    2-ethoxyethanol 68.03
    isopentanol 16.99
    n-heptane 1.66
    ethyl formate 42.77
    1,2-dichloroethane 149.83
    n-hexanol 13.13
    2-methoxyethanol 73.36
    isobutyl acetate 32.93
    tetrachloromethane 23.27
    n-pentyl acetate 50.88
    transcutol 236.02
    n-heptanol 11.85
    ethylbenzene 21.17
    MIBK 38.29
    2-propoxyethanol 51.41
    tert-butanol 25.79
    MTBE 26.67
    2-butoxyethanol 44.31
    propionic acid 41.23
    o-xylene 26.26
    formic acid 42.08
    diethyl ether 20.95
    m-xylene 18.94
    p-xylene 31.24
    chlorobenzene 62.7
    dimethyl carbonate 26.99
    n-octane 1.45
    formamide 76.31
    cyclopentanone 226.19
    2-pentanone 49.64
    anisole 49.61
    cyclopentyl methyl ether 57.36
    gamma-butyrolactone 244.72
    1-methoxy-2-propanol 52.48
    pyridine 123.83
    3-pentanone 45.93
    furfural 243.34
    n-dodecane 1.43
    diethylene glycol 44.43
    diisopropyl ether 8.45
    tert-amyl alcohol 25.8
    acetylacetone 109.63
    n-hexadecane 1.69
    acetophenone 84.68
    methyl propionate 41.93
    isopentyl acetate 40.68
    trichloroethylene 316.19
    n-nonanol 15.97
    cyclohexanol 29.41
    benzyl alcohol 49.01
    2-ethylhexanol 12.99
    isooctanol 11.63
    dipropyl ether 17.61
    1,2-dichlorobenzene 72.43
    ethyl lactate 35.75
    propylene carbonate 116.39
    n-methylformamide 67.09
    2-pentanol 10.01
    n-pentane 1.32
    1-propoxy-2-propanol 37.38
    1-methoxy-2-propyl acetate 50.03
    2-(2-methoxypropoxy) propanol 65.1
    mesitylene 12.93
    ε-caprolactone 146.42
    p-cymene 12.88
    epichlorohydrin 223.81
    1,1,1-trichloroethane 110.47
    2-aminoethanol 14.73
    morpholine-4-carbaldehyde 235.49
    sulfolane 408.05
    2,2,4-trimethylpentane 1.98
    2-methyltetrahydrofuran 93.93
    n-hexyl acetate 55.84
    isooctane 0.95
    2-(2-butoxyethoxy)ethanol 74.78
    sec-butyl acetate 34.29
    tert-butyl acetate 47.06
    decalin 4.9
    glycerin 25.43
    diglyme 170.9
    acrylic acid 50.44
    isopropyl myristate 20.03
    n-butyric acid 51.11
    acetyl acetate 52.95
    di(2-ethylhexyl) phthalate 31.63
    ethyl propionate 42.84
    nitromethane 215.5
    1,2-diethoxyethane 58.98
    benzonitrile 63.65
    trioctyl phosphate 18.47
    1-bromopropane 47.47
    gamma-valerolactone 287.38
    n-decanol 11.36
    triethyl phosphate 31.93
    4-methyl-2-pentanol 9.04
    propionitrile 27.93
    vinylene carbonate 112.24
    1,1,2-trichlorotrifluoroethane 200.38
    DMS 55.76
    cumene 15.33
    2-octanol 10.22
    2-hexanone 57.01
    octyl acetate 27.09
    limonene 18.02
    1,2-dimethoxyethane 137.07
    ethyl orthosilicate 28.84
    tributyl phosphate 26.73
    diacetone alcohol 57.38
    N,N-dimethylaniline 43.21
    acrylonitrile 49.01
    aniline 35.54
    1,3-propanediol 22.03
    bromobenzene 67.34
    dibromomethane 146.18
    1,1,2,2-tetrachloroethane 243.49
    2-methyl-cyclohexyl acetate 45.39
    tetrabutyl urea 43.17
    diisobutyl methanol 9.64
    2-phenylethanol 34.83
    styrene 29.35
    dioctyl adipate 46.31
    dimethyl sulfate 83.63
    ethyl butyrate 41.36
    methyl lactate 36.32
    butyl lactate 45.73
    diethyl carbonate 30.71
    propanediol butyl ether 47.43
    triethyl orthoformate 34.2
    p-tert-butyltoluene 11.18
    methyl 4-tert-butylbenzoate 63.86
    morpholine 107.82
    tert-butylamine 14.33
    n-dodecanol 8.7
    dimethoxymethane 70.29
    ethylene carbonate 81.21
    cyrene 96.48
    2-ethoxyethyl acetate 78.69
    2-ethylhexyl acetate 33.81
    1,2,4-trichlorobenzene 97.54
    4-methylpyridine 108.22
    dibutyl ether 24.89
    2,6-dimethyl-4-heptanol 9.64
    DEF 92.73
    dimethyl isosorbide 121.52
    tetrachloroethylene 149.93
    eugenol 64.35
    triacetin 93.72
    span 80 57.51
    1,4-butanediol 14.12
    1,1-dichloroethane 94.32
    2-methyl-1-pentanol 21.5
    methyl formate 53.87
    2-methyl-1-butanol 15.36
    n-decane 2.58
    butyronitrile 28.68
    3,7-dimethyl-1-octanol 15.47
    1-chlorooctane 12.99
    1-chlorotetradecane 5.51
    n-nonane 2.25
    undecane 1.83
    tert-butylcyclohexane 3.12
    cyclooctane 2.07
    cyclopentanol 38.59
    tetrahydropyran 68.52
    tert-amyl methyl ether 26.77
    2,5,8-trioxanonane 118.0
    1-hexene 11.09
    2-isopropoxyethanol 47.08
    2,2,2-trifluoroethanol 52.47
    methyl butyrate 68.03

    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