Disulfide, di-tert-dodecyl

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  • Identifiers

    CAS number
    27458-90-8

    Molecular formula
    C24H50S2

    SMILES
    CCCCCCCCCC(C)(C)SSC(C)(C)CCCCCCCCC

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Sulfurous 72.72%
    Meaty 57.25%
    Green 56.97%
    Savory 45.18%
    Vegetable 44.75%
    Alliaceous 42.27%
    Fatty 40.95%
    Waxy 34.53%
    Onion 33.76%
    Roasted 33.24%

     

    Flavor
    Bland 23.83%
    Waxy 23.67%
    Alkane 22.78%
    Mild 22.71%
    Delicate 22.66%
    Skunky 21.65%
    Slightly waxy 21.07%
    Leathery 20.54%
    Diterpene 20.49%
    Yeasty 20.44%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    11.1

    pKa est.
    7.97 (neutral)

    Molecular weight
    402.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    438°C

    Flash point

    • 203.15 ˚C est.

  • Synonyms

    • Di-tert-dodecyl disulfide
    • 27458-90-8
    • Disulfide, di-tert-dodecyl
    • Di-tert-dodecyl disulphide
    • 2-methyl-2-(2-methylundecan-2-yldisulfanyl)undecane
    • tert-Dodecyl Disulfide
    • EINECS 248-468-7
    • DTXSID8067313
    • RefChem:589805
    • DTXCID2037681
    • 248-468-7
    • 2-methyl-2-[(2-methylundecan-2-yl)disulfanyl]undecane
    • ditertiarydodecyldisulfide
    • bis(2-methylundecan-2-yl) disulfide
    • MFCD00059944
    • 440659-94-9
    • di-t-dodecyl disulfide
    • 1,2-Bis(2-methylundecan-2-yl)disulfane
    • Ditertiarydodecyldisulphide
    • SCHEMBL728106
    • CHEBI:84283
    • Bis(2-methylundecan-2-yl) disulphide
    • D0447
    • NS00021097
    • D89655
    • A819904
    • 2-(1,1-dimethyldecyldisulfanyl)-2-methyl-undecane
    • Q27157647
    • 2-Methyl-2-[(2-methylundecan-2-yl)disulphanyl]undecane
    • 27458-90-8

  • Applications

    Disulfide, di-tert-dodecyl (CAS 27458-90-8) is used as an organic synthesis intermediate and as a processing additive in polymers and coatings, where it can function as a chain-transfer agent in radical polymerizations and as a crosslinking component in cured films. In perfumery, it may act as a sulfur-containing odorant or fixative to help stabilize fragrance profiles. It is also employed as a precursor for thioether formation and for surface modification in specialty materials, with usage governed by formulation needs and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 57.61
    methanol 13.18
    isopropanol 105.79
    water 0.01
    ethyl acetate 1384.37
    n-propanol 131.92
    acetone 728.38
    n-butanol 202.76
    acetonitrile 89.7
    DMF 973.64
    toluene 1260.79
    isobutanol 189.25
    1,4-dioxane 1376.35
    methyl acetate 698.12
    THF 3919.25
    2-butanone 1189.07
    n-pentanol 198.05
    sec-butanol 248.42
    n-hexane 307.29
    ethylene glycol 2.59
    NMP 2462.39
    cyclohexane 1165.76
    DMSO 540.64
    n-butyl acetate 2133.28
    n-octanol 509.53
    chloroform 2264.0
    n-propyl acetate 1350.87
    acetic acid 107.58
    dichloromethane 1702.39
    cyclohexanone 3638.88
    propylene glycol 17.22
    isopropyl acetate 1744.09
    DMAc 1948.05
    2-ethoxyethanol 265.25
    isopentanol 302.48
    n-heptane 679.37
    ethyl formate 328.76
    1,2-dichloroethane 1333.17
    n-hexanol 327.96
    2-methoxyethanol 248.31
    isobutyl acetate 1370.38
    tetrachloromethane 583.17
    n-pentyl acetate 2229.27
    transcutol 1951.22
    n-heptanol 373.59
    ethylbenzene 713.53
    MIBK 1463.74
    2-propoxyethanol 528.12
    tert-butanol 291.44
    MTBE 1360.42
    2-butoxyethanol 614.29
    propionic acid 184.7
    o-xylene 962.52
    formic acid 6.2
    diethyl ether 1005.11
    m-xylene 984.67
    p-xylene 1073.77
    chlorobenzene 1328.23
    dimethyl carbonate 392.88
    n-octane 270.96
    formamide 17.31
    cyclopentanone 3364.48
    2-pentanone 1482.94
    anisole 1142.32
    cyclopentyl methyl ether 3497.63
    gamma-butyrolactone 2349.25
    1-methoxy-2-propanol 420.89
    pyridine 1193.18
    3-pentanone 1485.06
    furfural 1245.34
    n-dodecane 122.57
    diethylene glycol 107.32
    diisopropyl ether 875.86
    tert-amyl alcohol 483.38
    acetylacetone 2025.06
    n-hexadecane 159.79
    acetophenone 1259.2
    methyl propionate 1052.2
    isopentyl acetate 2473.89
    trichloroethylene 2783.7
    n-nonanol 552.66
    cyclohexanol 822.52
    benzyl alcohol 381.62
    2-ethylhexanol 651.15
    isooctanol 486.12
    dipropyl ether 2160.3
    1,2-dichlorobenzene 1384.3
    ethyl lactate 354.7
    propylene carbonate 1609.72
    n-methylformamide 133.17
    2-pentanol 302.79
    n-pentane 205.66
    1-propoxy-2-propanol 930.74
    1-methoxy-2-propyl acetate 2149.86
    2-(2-methoxypropoxy) propanol 758.09
    mesitylene 816.84
    ε-caprolactone 2967.27
    p-cymene 803.06
    epichlorohydrin 2410.2
    1,1,1-trichloroethane 2533.11
    2-aminoethanol 16.26
    morpholine-4-carbaldehyde 1883.78
    sulfolane 3403.28
    2,2,4-trimethylpentane 233.15
    2-methyltetrahydrofuran 3286.67
    n-hexyl acetate 2293.84
    isooctane 165.5
    2-(2-butoxyethoxy)ethanol 886.49
    sec-butyl acetate 1523.15
    tert-butyl acetate 2702.1
    decalin 526.52
    glycerin 28.52
    diglyme 2423.42
    acrylic acid 101.69
    isopropyl myristate 1122.21
    n-butyric acid 590.0
    acetyl acetate 938.73
    di(2-ethylhexyl) phthalate 500.62
    ethyl propionate 1332.73
    nitromethane 357.17
    1,2-diethoxyethane 2097.31
    benzonitrile 591.59
    trioctyl phosphate 483.93
    1-bromopropane 1134.51
    gamma-valerolactone 3290.93
    n-decanol 382.73
    triethyl phosphate 1036.36
    4-methyl-2-pentanol 302.71
    propionitrile 204.26
    vinylene carbonate 1020.79
    1,1,2-trichlorotrifluoroethane 1050.55
    DMS 1193.44
    cumene 558.98
    2-octanol 456.41
    2-hexanone 1322.39
    octyl acetate 1113.73
    limonene 1659.31
    1,2-dimethoxyethane 1258.14
    ethyl orthosilicate 1075.2
    tributyl phosphate 663.44
    diacetone alcohol 1314.55
    N,N-dimethylaniline 940.24
    acrylonitrile 166.56
    aniline 553.62
    1,3-propanediol 57.28
    bromobenzene 1910.28
    dibromomethane 1290.88
    1,1,2,2-tetrachloroethane 3025.06
    2-methyl-cyclohexyl acetate 1769.04
    tetrabutyl urea 1013.99
    diisobutyl methanol 670.99
    2-phenylethanol 470.01
    styrene 823.91
    dioctyl adipate 1277.28
    dimethyl sulfate 857.08
    ethyl butyrate 2138.26
    methyl lactate 274.6
    butyl lactate 1016.37
    diethyl carbonate 1104.56
    propanediol butyl ether 425.64
    triethyl orthoformate 1941.49
    p-tert-butyltoluene 846.42
    methyl 4-tert-butylbenzoate 1490.33
    morpholine 1478.46
    tert-butylamine 255.34
    n-dodecanol 285.01
    dimethoxymethane 934.44
    ethylene carbonate 1060.48
    cyrene 772.2
    2-ethoxyethyl acetate 2072.47
    2-ethylhexyl acetate 2438.97
    1,2,4-trichlorobenzene 1706.55
    4-methylpyridine 1629.78
    dibutyl ether 1989.67
    2,6-dimethyl-4-heptanol 670.99
    DEF 1925.57
    dimethyl isosorbide 2137.35
    tetrachloroethylene 1417.16
    eugenol 737.56
    triacetin 1973.88
    span 80 815.47
    1,4-butanediol 29.03
    1,1-dichloroethane 1430.58
    2-methyl-1-pentanol 310.23
    methyl formate 142.71
    2-methyl-1-butanol 307.76
    n-decane 319.32
    butyronitrile 335.26
    3,7-dimethyl-1-octanol 750.69
    1-chlorooctane 1023.58
    1-chlorotetradecane 330.48
    n-nonane 330.77
    undecane 186.03
    tert-butylcyclohexane 424.35
    cyclooctane 570.51
    cyclopentanol 658.91
    tetrahydropyran 2785.09
    tert-amyl methyl ether 1443.56
    2,5,8-trioxanonane 1254.03
    1-hexene 594.74
    2-isopropoxyethanol 374.02
    2,2,2-trifluoroethanol 61.36
    methyl butyrate 1614.26

    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