Disulfide, bis(1,1-dimethylethyl)

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  • Identifiers

    CAS number
    110-06-5

    Molecular formula
    C8H18S2

    SMILES
    CC(C)(C)SSC(C)(C)C

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sulfurous 93.92%
    Green 77.02%
    Meaty 75.95%
    Vegetable 72.12%
    Alliaceous 67.9%
    Savory 56.77%
    Onion 53.73%
    Tropical 53.22%
    Garlic 45.96%
    Roasted 41.01%

     

    Flavor
    Sulfurous 50.11%
    Green 36.78%
    Meaty 35.36%
    Sulfury 30.2%
    Earthy 29.23%
    Burnt 28.23%
    Onion 27.91%
    Vegetable 23.44%
    Blackberry 23.41%
    Catty 22.0%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.13 (neutral)

    Molecular weight
    178.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    197°C

    Flash point

    • 64.7 ˚C est.

  • Synonyms

    • 110-06-5
    • Di-tert-butyl disulphide
    • Tert-butyl disulfide
    • Disulfide, bis(1,1-dimethylethyl)
    • 2,2'-dithiobis(2-methylpropane)
    • EINECS 203-734-1
    • AI3-32576
    • RefChem:589792
    • 203-734-1
    • InChI=1/C8H18S2/c1-7(2,3)9-10-8(4,5)6/h1-6H
    • Di-tert-butyl disulfide
    • 1,2-Di-tert-butyldisulfane
    • 2-(tert-Butyldisulfanyl)-2-methylpropane
    • t-butyl disulfide
    • di-t-butyl disulfide
    • MFCD00008838
    • 2,2,5,5-Tetramethyl-3,4-dithiahexane
    • RTY9CM6498
    • Bis(1,1-dimethylethyl) disulfide
    • NSC-677434
    • t-Butyldisulfide
    • 2-(tert-butyldithio)-2-methylpropane
    • 2-(tert-butyldisulfanyl)-2-methyl-propane
    • (tert-C4H9S)2
    • UNII-RTY9CM6498
    • SCHEMBL94585
    • CHEMBL121077
    • Di-tert-butyl disulfide, 97%
    • BIS(TERT-BUTYL)DISULFIDE
    • DTXSID0021913
    • Bis(1,1-dimethylethyl) disulphide
    • AKOS009031417
    • LS-13552
    • DB-059964
    • CS-0154649
    • D0225
    • NS00023535
    • EN300-20413
    • Di-tert-butyl disulfide, 88%, technical grade
    • F349310
    • 110-06-5

  • Applications

    Disulfide, bis(1,1-dimethylethyl) is used as a sulfur-containing reagent and/or radical source in polymer and plastic processing, supporting crosslinking and curing in polymer systems; it also serves as a sulfur-donor in rubber processing, participating in vulcanization and improving the network formation of rubber and elastomer formulations; in fragrance and personal care contexts, it can be employed as an odorant or fragrance ingredient and/or fixative; in organic synthesis, it acts as a building block for introducing tert-butyl sulfur-containing motifs and can be used to prepare tert-butyl-containing disulfides; and in coatings, inks, and adhesives, it can function as a radical initiator or crosslinking agent to enhance curing and adhesion.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 54.62
    methanol 45.86
    isopropanol 83.28
    water 0.31
    ethyl acetate 279.93
    n-propanol 77.96
    acetone 329.0
    n-butanol 87.66
    acetonitrile 126.74
    DMF 602.56
    toluene 316.56
    isobutanol 88.36
    1,4-dioxane 365.62
    methyl acetate 296.2
    THF 806.89
    2-butanone 391.56
    n-pentanol 72.6
    sec-butanol 108.5
    n-hexane 92.17
    ethylene glycol 20.97
    NMP 830.93
    cyclohexane 145.67
    DMSO 319.09
    n-butyl acetate 439.94
    n-octanol 215.85
    chloroform 604.58
    n-propyl acetate 232.5
    acetic acid 71.58
    dichloromethane 350.09
    cyclohexanone 685.26
    propylene glycol 51.14
    isopropyl acetate 281.9
    DMAc 687.8
    2-ethoxyethanol 97.32
    isopentanol 100.98
    n-heptane 168.62
    ethyl formate 127.66
    1,2-dichloroethane 263.72
    n-hexanol 210.27
    2-methoxyethanol 155.64
    isobutyl acetate 241.19
    tetrachloromethane 147.39
    n-pentyl acetate 278.45
    transcutol 350.52
    n-heptanol 151.6
    ethylbenzene 250.04
    MIBK 308.97
    2-propoxyethanol 308.41
    tert-butanol 165.49
    MTBE 311.28
    2-butoxyethanol 190.45
    propionic acid 117.8
    o-xylene 313.04
    formic acid 15.35
    diethyl ether 201.81
    m-xylene 313.66
    p-xylene 328.55
    chlorobenzene 361.48
    dimethyl carbonate 206.47
    n-octane 85.87
    formamide 28.01
    cyclopentanone 956.38
    2-pentanone 345.91
    anisole 408.36
    cyclopentyl methyl ether 566.35
    gamma-butyrolactone 702.02
    1-methoxy-2-propanol 212.25
    pyridine 337.85
    3-pentanone 374.78
    furfural 519.9
    n-dodecane 81.66
    diethylene glycol 129.58
    diisopropyl ether 170.55
    tert-amyl alcohol 186.41
    acetylacetone 479.82
    n-hexadecane 95.23
    acetophenone 424.4
    methyl propionate 319.96
    isopentyl acetate 472.53
    trichloroethylene 631.43
    n-nonanol 202.85
    cyclohexanol 193.87
    benzyl alcohol 168.25
    2-ethylhexanol 249.11
    isooctanol 143.39
    dipropyl ether 373.42
    1,2-dichlorobenzene 421.2
    ethyl lactate 160.58
    propylene carbonate 473.77
    n-methylformamide 142.08
    2-pentanol 108.49
    n-pentane 64.77
    1-propoxy-2-propanol 372.17
    1-methoxy-2-propyl acetate 561.85
    2-(2-methoxypropoxy) propanol 333.31
    mesitylene 274.72
    ε-caprolactone 514.04
    p-cymene 319.19
    epichlorohydrin 530.49
    1,1,1-trichloroethane 534.41
    2-aminoethanol 38.79
    morpholine-4-carbaldehyde 615.51
    sulfolane 1084.19
    2,2,4-trimethylpentane 69.28
    2-methyltetrahydrofuran 566.5
    n-hexyl acetate 459.95
    isooctane 66.13
    2-(2-butoxyethoxy)ethanol 292.84
    sec-butyl acetate 253.42
    tert-butyl acetate 415.67
    decalin 133.34
    glycerin 67.81
    diglyme 473.76
    acrylic acid 106.92
    isopropyl myristate 309.71
    n-butyric acid 156.01
    acetyl acetate 255.71
    di(2-ethylhexyl) phthalate 237.4
    ethyl propionate 279.28
    nitromethane 213.99
    1,2-diethoxyethane 285.82
    benzonitrile 293.68
    trioctyl phosphate 195.65
    1-bromopropane 230.41
    gamma-valerolactone 808.26
    n-decanol 173.31
    triethyl phosphate 273.09
    4-methyl-2-pentanol 105.37
    propionitrile 165.86
    vinylene carbonate 369.86
    1,1,2-trichlorotrifluoroethane 403.74
    DMS 443.06
    cumene 211.68
    2-octanol 154.01
    2-hexanone 304.11
    octyl acetate 335.91
    limonene 454.49
    1,2-dimethoxyethane 312.12
    ethyl orthosilicate 243.92
    tributyl phosphate 234.84
    diacetone alcohol 357.01
    N,N-dimethylaniline 366.01
    acrylonitrile 187.61
    aniline 215.26
    1,3-propanediol 57.39
    bromobenzene 450.02
    dibromomethane 280.32
    1,1,2,2-tetrachloroethane 662.82
    2-methyl-cyclohexyl acetate 468.29
    tetrabutyl urea 321.48
    diisobutyl methanol 214.36
    2-phenylethanol 299.32
    styrene 261.97
    dioctyl adipate 345.09
    dimethyl sulfate 404.32
    ethyl butyrate 377.04
    methyl lactate 210.74
    butyl lactate 259.93
    diethyl carbonate 257.39
    propanediol butyl ether 214.98
    triethyl orthoformate 312.62
    p-tert-butyltoluene 384.19
    methyl 4-tert-butylbenzoate 479.68
    morpholine 350.05
    tert-butylamine 131.22
    n-dodecanol 152.74
    dimethoxymethane 336.54
    ethylene carbonate 297.91
    cyrene 416.38
    2-ethoxyethyl acetate 296.6
    2-ethylhexyl acetate 463.98
    1,2,4-trichlorobenzene 573.3
    4-methylpyridine 445.2
    dibutyl ether 331.42
    2,6-dimethyl-4-heptanol 214.36
    DEF 368.7
    dimethyl isosorbide 756.67
    tetrachloroethylene 326.84
    eugenol 359.65
    triacetin 480.88
    span 80 371.53
    1,4-butanediol 34.7
    1,1-dichloroethane 357.1
    2-methyl-1-pentanol 91.29
    methyl formate 140.33
    2-methyl-1-butanol 104.05
    n-decane 121.27
    butyronitrile 165.01
    3,7-dimethyl-1-octanol 252.38
    1-chlorooctane 273.37
    1-chlorotetradecane 156.99
    n-nonane 122.9
    undecane 97.8
    tert-butylcyclohexane 137.99
    cyclooctane 110.94
    cyclopentanol 224.68
    tetrahydropyran 422.27
    tert-amyl methyl ether 334.38
    2,5,8-trioxanonane 390.95
    1-hexene 162.37
    2-isopropoxyethanol 113.19
    2,2,2-trifluoroethanol 54.09
    methyl butyrate 307.33

    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