Disulfide, bis(2-methylpropyl)

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  • Identifiers

    CAS number
    1518-72-5

    Molecular formula
    C8H18S2

    SMILES
    CC(C)CSSCC(C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 88.6%
    Green 84.97%
    Alliaceous 75.08%
    Vegetable 74.62%
    Onion 69.25%
    Meaty 66.32%
    Savory 60.2%
    Garlic 58.1%
    Cooked 40.79%
    Roasted 39.06%

     

    Flavor
    Sulfurous 55.92%
    Onion 47.94%
    Garlic 33.64%
    Meaty 33.6%
    Alliaceous 33.43%
    Sulfury 32.59%
    Green 27.48%
    Cooked 25.45%
    Cabbage 24.21%
    Bloody 23.73%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    6.15 (neutral)

    Molecular weight
    178.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    212°C

    Flash point

    • 81.61 ˚C est.

  • Synonyms

    • Diisobutyl disulfide
    • 1518-72-5
    • Isobutyl disulfide
    • Disulfide, bis(2-methylpropyl)
    • 2-methyl-1-(2-methylpropyldisulfanyl)propane
    • Z1G437CRNK
    • Diisobutyl disulphide
    • UNII-Z1G437CRNK
    • EINECS 216-177-4
    • MFCD00039850
    • 1-(isobutyldisulfanyl)-2-methyl-propane
    • 1,2-diisobutyldisulfane
    • Diisobutyldisulfide; 98%
    • Di(2-methylpropyl) disulfide
    • SCHEMBL576278
    • Bis(2-methylpropyl) disulphide
    • 2,7-Dimethyl-4,5-dithiaoctane
    • DTXSID00164873
    • AKOS006227762
    • 1-(Isobutyldisulfanyl)-2-methylpropane #
    • BS-23521
    • DB-043119
    • CS-0447139
    • D0616
    • NS00024953
    • D89690
    • 1-(Isobutyldisulfanyl)-2-methylpropane, AldrichCPR
    • Q27294870
    • InChI=1/C8H18S2/c1-7(2)5-9-10-6-8(3)4/h7-8H,5-6H2,1-4H

  • Applications

    Bis(2-methylpropyl) disulfide (CAS 1518-72-5) is used primarily as a fragrance ingredient and odorant in perfumery and cosmetics, where it can function as a fixative and aroma contributor in specialty formulations; it can serve as an organic sulfur-containing intermediate in industrial manufacturing to synthesize other sulfur-containing compounds; in polymer chemistry, dialkyl disulfides can act as chain-transfer agents to regulate molecular weight during free-radical polymerization; it may be evaluated as a processing aid or crosslinking modifier in certain coatings or inks; and it can serve as a precursor for the synthesis of specialty materials, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 590.77
    methanol 363.68
    isopropanol 749.74
    water 0.18
    ethyl acetate 1709.53
    n-propanol 767.4
    acetone 2691.61
    n-butanol 996.43
    acetonitrile 789.72
    DMF 1875.75
    toluene 2628.27
    isobutanol 829.51
    1,4-dioxane 2993.23
    methyl acetate 1392.41
    THF 6148.35
    2-butanone 2167.21
    n-pentanol 604.24
    sec-butanol 852.86
    n-hexane 1523.83
    ethylene glycol 98.46
    NMP 3162.6
    cyclohexane 4014.04
    DMSO 1908.75
    n-butyl acetate 2727.77
    n-octanol 928.12
    chloroform 4603.88
    n-propyl acetate 1204.09
    acetic acid 703.6
    dichloromethane 3111.38
    cyclohexanone 5601.75
    propylene glycol 224.94
    isopropyl acetate 1532.12
    DMAc 1669.76
    2-ethoxyethanol 596.79
    isopentanol 1030.28
    n-heptane 1958.64
    ethyl formate 859.67
    1,2-dichloroethane 2478.05
    n-hexanol 1448.45
    2-methoxyethanol 942.6
    isobutyl acetate 1056.68
    tetrachloromethane 1465.02
    n-pentyl acetate 1431.72
    transcutol 2056.48
    n-heptanol 751.74
    ethylbenzene 1137.95
    MIBK 1617.85
    2-propoxyethanol 1463.73
    tert-butanol 1357.02
    MTBE 2194.06
    2-butoxyethanol 862.25
    propionic acid 794.02
    o-xylene 1581.62
    formic acid 87.57
    diethyl ether 2090.75
    m-xylene 1754.86
    p-xylene 1554.32
    chlorobenzene 2321.6
    dimethyl carbonate 606.89
    n-octane 615.83
    formamide 150.03
    cyclopentanone 5550.78
    2-pentanone 2351.12
    anisole 1306.14
    cyclopentyl methyl ether 4718.88
    gamma-butyrolactone 3753.93
    1-methoxy-2-propanol 1069.82
    pyridine 2695.29
    3-pentanone 2060.62
    furfural 2530.81
    n-dodecane 337.57
    diethylene glycol 594.62
    diisopropyl ether 1316.65
    tert-amyl alcohol 1215.35
    acetylacetone 2296.76
    n-hexadecane 409.78
    acetophenone 1258.65
    methyl propionate 1371.14
    isopentyl acetate 2505.28
    trichloroethylene 4264.34
    n-nonanol 824.99
    cyclohexanol 2284.16
    benzyl alcohol 758.17
    2-ethylhexanol 1469.48
    isooctanol 693.95
    dipropyl ether 2871.32
    1,2-dichlorobenzene 2028.75
    ethyl lactate 479.64
    propylene carbonate 2241.98
    n-methylformamide 595.22
    2-pentanol 971.97
    n-pentane 1166.97
    1-propoxy-2-propanol 1723.67
    1-methoxy-2-propyl acetate 1968.4
    2-(2-methoxypropoxy) propanol 790.95
    mesitylene 1403.69
    ε-caprolactone 3370.67
    p-cymene 1200.29
    epichlorohydrin 3229.62
    1,1,1-trichloroethane 3714.0
    2-aminoethanol 229.92
    morpholine-4-carbaldehyde 2178.24
    sulfolane 4592.96
    2,2,4-trimethylpentane 581.96
    2-methyltetrahydrofuran 4678.12
    n-hexyl acetate 1960.3
    isooctane 539.27
    2-(2-butoxyethoxy)ethanol 1022.3
    sec-butyl acetate 1094.86
    tert-butyl acetate 2149.22
    decalin 1153.04
    glycerin 278.2
    diglyme 2179.14
    acrylic acid 616.29
    isopropyl myristate 968.53
    n-butyric acid 1519.48
    acetyl acetate 1300.53
    di(2-ethylhexyl) phthalate 585.98
    ethyl propionate 1169.42
    nitromethane 1278.95
    1,2-diethoxyethane 1743.36
    benzonitrile 1404.76
    trioctyl phosphate 548.3
    1-bromopropane 2322.12
    gamma-valerolactone 4284.9
    n-decanol 607.04
    triethyl phosphate 833.95
    4-methyl-2-pentanol 680.97
    propionitrile 1012.21
    vinylene carbonate 1609.17
    1,1,2-trichlorotrifluoroethane 1817.82
    DMS 1062.15
    cumene 798.01
    2-octanol 694.51
    2-hexanone 1534.51
    octyl acetate 1066.28
    limonene 2390.19
    1,2-dimethoxyethane 1734.42
    ethyl orthosilicate 892.29
    tributyl phosphate 685.61
    diacetone alcohol 1486.67
    N,N-dimethylaniline 1013.12
    acrylonitrile 932.55
    aniline 1472.83
    1,3-propanediol 433.42
    bromobenzene 2974.06
    dibromomethane 2935.5
    1,1,2,2-tetrachloroethane 4128.39
    2-methyl-cyclohexyl acetate 1625.26
    tetrabutyl urea 923.59
    diisobutyl methanol 1151.61
    2-phenylethanol 1041.59
    styrene 1352.85
    dioctyl adipate 1035.83
    dimethyl sulfate 996.6
    ethyl butyrate 1898.33
    methyl lactate 579.7
    butyl lactate 929.15
    diethyl carbonate 1065.58
    propanediol butyl ether 748.53
    triethyl orthoformate 1502.53
    p-tert-butyltoluene 1277.99
    methyl 4-tert-butylbenzoate 1202.31
    morpholine 2945.45
    tert-butylamine 1152.26
    n-dodecanol 496.38
    dimethoxymethane 1370.95
    ethylene carbonate 1614.85
    cyrene 910.34
    2-ethoxyethyl acetate 1263.0
    2-ethylhexyl acetate 2263.49
    1,2,4-trichlorobenzene 2204.56
    4-methylpyridine 2923.0
    dibutyl ether 2165.63
    2,6-dimethyl-4-heptanol 1151.61
    DEF 2011.74
    dimethyl isosorbide 1878.06
    tetrachloroethylene 2713.75
    eugenol 819.7
    triacetin 1262.87
    span 80 1062.25
    1,4-butanediol 193.89
    1,1-dichloroethane 2772.95
    2-methyl-1-pentanol 658.27
    methyl formate 614.43
    2-methyl-1-butanol 949.5
    n-decane 635.82
    butyronitrile 1341.53
    3,7-dimethyl-1-octanol 1065.04
    1-chlorooctane 1339.85
    1-chlorotetradecane 573.78
    n-nonane 718.39
    undecane 442.47
    tert-butylcyclohexane 907.33
    cyclooctane 1831.8
    cyclopentanol 2077.86
    tetrahydropyran 5065.17
    tert-amyl methyl ether 1901.36
    2,5,8-trioxanonane 1273.94
    1-hexene 1839.58
    2-isopropoxyethanol 576.81
    2,2,2-trifluoroethanol 283.28
    methyl butyrate 1533.33

    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