Bis(2-methylpropyl) mercaptosuccinate

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  • Identifiers

    CAS number
    65291-43-2

    Molecular formula
    C12H22O4S

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 60.83%
    Tropical 37.66%
    Sulfurous 30.1%
    Fermented 27.25%
    Fatty 26.14%
    Sweet 26.0%
    Winey 25.49%
    Peach 25.0%
    Oily 24.49%
    Herbal 22.9%

     

    Flavor
    Fruity 51.4%
    Odorless 27.63%
    Berry 22.02%
    Mild 21.84%
    Bitter 21.39%
    Sweet 21.3%
    Bland 20.89%
    Grape skin 20.53%
    Sweet-like 19.87%
    Dried berry 19.69%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    6.73 (neutral)

    Molecular weight
    262.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    295°C

    Flash point

    • 126.03 ˚C est.

  • Synonyms

    • 65291-43-2
    • Diisobutyl thiomalate
    • Bis(2-methylpropyl) mercaptosuccinate
    • EINECS 265-677-9
    • bis(2-methylpropyl) 2-sulfanylbutanedioate
    • DTXSID60983926
    • UEOGGTWLWHHFID-UHFFFAOYSA-N
    • Bis-(2-methylpropyl)mercaptosuccinate
    • NS00056130
    • 65291-43-2

  • Applications

    Bis(2-methylpropyl) mercaptosuccinate (CAS 65291-43-2) is used as an industrial intermediate and processing additive. In practice, it may function as a chelating agent and stabilizer in polymer formulations, as a crosslinker or curing agent for polymers and coatings, as a plasticizer or processing aid in plastics, and as a surfactant or compatibilizer in polymer blends and adhesives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 643.75
    methanol 765.31
    isopropanol 510.11
    water 2.44
    ethyl acetate 483.33
    n-propanol 399.58
    acetone 927.09
    n-butanol 373.06
    acetonitrile 656.33
    DMF 1120.84
    toluene 189.27
    isobutanol 315.07
    1,4-dioxane 616.42
    methyl acetate 632.35
    THF 886.95
    2-butanone 633.67
    n-pentanol 348.24
    sec-butanol 446.74
    n-hexane 32.58
    ethylene glycol 105.39
    NMP 785.16
    cyclohexane 40.06
    DMSO 985.34
    n-butyl acetate 337.44
    n-octanol 161.95
    chloroform 1105.89
    n-propyl acetate 401.27
    acetic acid 1006.57
    dichloromethane 891.68
    cyclohexanone 642.84
    propylene glycol 167.64
    isopropyl acetate 339.24
    DMAc 1271.39
    2-ethoxyethanol 633.66
    isopentanol 353.66
    n-heptane 12.74
    ethyl formate 411.21
    1,2-dichloroethane 608.44
    n-hexanol 222.83
    2-methoxyethanol 808.55
    isobutyl acetate 254.07
    tetrachloromethane 136.69
    n-pentyl acetate 248.26
    transcutol 1002.4
    n-heptanol 131.66
    ethylbenzene 143.0
    MIBK 287.29
    2-propoxyethanol 423.29
    tert-butanol 589.35
    MTBE 501.34
    2-butoxyethanol 323.18
    propionic acid 380.82
    o-xylene 137.66
    formic acid 390.84
    diethyl ether 328.38
    m-xylene 125.61
    p-xylene 220.91
    chlorobenzene 276.03
    dimethyl carbonate 188.03
    n-octane 11.43
    formamide 537.47
    cyclopentanone 674.33
    2-pentanone 471.81
    anisole 299.4
    cyclopentyl methyl ether 334.72
    gamma-butyrolactone 760.74
    1-methoxy-2-propanol 552.64
    pyridine 519.72
    3-pentanone 306.18
    furfural 713.37
    n-dodecane 10.27
    diethylene glycol 322.71
    diisopropyl ether 106.05
    tert-amyl alcohol 508.94
    acetylacetone 589.03
    n-hexadecane 11.49
    acetophenone 361.25
    methyl propionate 353.51
    isopentyl acetate 331.79
    trichloroethylene 1188.58
    n-nonanol 135.35
    cyclohexanol 306.78
    benzyl alcohol 289.86
    2-ethylhexanol 134.6
    isooctanol 109.71
    dipropyl ether 121.72
    1,2-dichlorobenzene 260.22
    ethyl lactate 190.68
    propylene carbonate 506.67
    n-methylformamide 556.63
    2-pentanol 273.86
    n-pentane 22.91
    1-propoxy-2-propanol 271.74
    1-methoxy-2-propyl acetate 307.3
    2-(2-methoxypropoxy) propanol 252.21
    mesitylene 73.1
    ε-caprolactone 597.89
    p-cymene 71.39
    epichlorohydrin 914.9
    1,1,1-trichloroethane 589.86
    2-aminoethanol 235.65
    morpholine-4-carbaldehyde 824.36
    sulfolane 715.46
    2,2,4-trimethylpentane 21.48
    2-methyltetrahydrofuran 656.71
    n-hexyl acetate 322.4
    isooctane 11.98
    2-(2-butoxyethoxy)ethanol 379.59
    sec-butyl acetate 269.69
    tert-butyl acetate 351.19
    decalin 31.18
    glycerin 209.95
    diglyme 703.1
    acrylic acid 359.96
    isopropyl myristate 97.62
    n-butyric acid 531.11
    acetyl acetate 402.21
    di(2-ethylhexyl) phthalate 115.32
    ethyl propionate 275.36
    nitromethane 1358.26
    1,2-diethoxyethane 331.51
    benzonitrile 321.75
    trioctyl phosphate 82.34
    1-bromopropane 334.49
    gamma-valerolactone 937.57
    n-decanol 92.0
    triethyl phosphate 114.76
    4-methyl-2-pentanol 152.46
    propionitrile 356.77
    vinylene carbonate 434.38
    1,1,2-trichlorotrifluoroethane 675.41
    DMS 259.2
    cumene 98.29
    2-octanol 110.26
    2-hexanone 392.17
    octyl acetate 137.89
    limonene 99.92
    1,2-dimethoxyethane 818.82
    ethyl orthosilicate 114.69
    tributyl phosphate 107.17
    diacetone alcohol 403.77
    N,N-dimethylaniline 224.11
    acrylonitrile 428.98
    aniline 228.56
    1,3-propanediol 388.39
    bromobenzene 263.48
    dibromomethane 615.27
    1,1,2,2-tetrachloroethane 1013.55
    2-methyl-cyclohexyl acetate 186.6
    tetrabutyl urea 136.36
    diisobutyl methanol 82.25
    2-phenylethanol 220.49
    styrene 170.52
    dioctyl adipate 155.46
    dimethyl sulfate 292.7
    ethyl butyrate 216.35
    methyl lactate 209.27
    butyl lactate 214.41
    diethyl carbonate 160.44
    propanediol butyl ether 332.79
    triethyl orthoformate 148.5
    p-tert-butyltoluene 68.53
    methyl 4-tert-butylbenzoate 224.26
    morpholine 770.72
    tert-butylamine 298.92
    n-dodecanol 67.47
    dimethoxymethane 451.57
    ethylene carbonate 355.4
    cyrene 265.89
    2-ethoxyethyl acetate 357.44
    2-ethylhexyl acetate 255.07
    1,2,4-trichlorobenzene 347.53
    4-methylpyridine 601.56
    dibutyl ether 146.69
    2,6-dimethyl-4-heptanol 82.25
    DEF 507.7
    dimethyl isosorbide 380.05
    tetrachloroethylene 565.82
    eugenol 231.55
    triacetin 305.47
    span 80 215.19
    1,4-butanediol 216.48
    1,1-dichloroethane 674.7
    2-methyl-1-pentanol 340.87
    methyl formate 460.55
    2-methyl-1-butanol 320.46
    n-decane 17.74
    butyronitrile 387.67
    3,7-dimethyl-1-octanol 148.45
    1-chlorooctane 92.72
    1-chlorotetradecane 33.67
    n-nonane 16.73
    undecane 12.8
    tert-butylcyclohexane 29.47
    cyclooctane 12.89
    cyclopentanol 340.43
    tetrahydropyran 504.58
    tert-amyl methyl ether 359.71
    2,5,8-trioxanonane 404.42
    1-hexene 144.5
    2-isopropoxyethanol 425.3
    2,2,2-trifluoroethanol 344.45
    methyl butyrate 434.12

    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