Methyl 2-methyl-1-(methylthio)butyl disulfide

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  • Identifiers

    CAS number
    69078-83-7

    Molecular formula
    C7H16S3

    SMILES
    CCC(C)C(SC)SSC

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 81.71%
    Onion 72.43%
    Alliaceous 64.97%
    Garlic 60.32%
    Meaty 57.84%
    Green 57.72%
    Savory 54.91%
    Vegetable 52.93%
    Roasted 51.87%
    Cooked 46.07%

     

    Flavor
    Sulfurous 59.46%
    Onion 55.92%
    Garlic 43.76%
    Green 38.14%
    Alliaceous 36.44%
    Sulfury 30.54%
    Meaty 28.9%
    Cabbage 26.45%
    Metallic 26.4%
    Cooked 24.9%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    3.83 (weak acid)

    Molecular weight
    196.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    263°C

    Flash point

    • 100.5 ˚C est.

  • Synonyms

    • 69078-83-7
    • METHYL 2-METHYL-1-(METHYLTHIO)BUTYL DISULFIDE
    • 2-methyl-1-(methyldisulfanyl)-1-(methylsulfanyl)butane
    • DTXSID60988799
    • 69078-83-7

  • Applications

    Methyl 2-methyl-1-(methylthio)butyl disulfide (CAS 69078-83-7) is primarily used as an intermediate in the synthesis of sulfur-containing organic compounds and may serve as a fragrance-related ingredient in perfumery research. In practical applications, it can be employed as an odorant or fragrance component in cosmetics and personal care formulations; it may be evaluated for use as a specialty fragrance in cleaning products. Additionally, it can act as a building block or processing intermediate in industrial manufacturing, for example as a precursor for sulfur-containing monomers or polymer additives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 782.66
    methanol 521.3
    isopropanol 766.9
    water 0.34
    ethyl acetate 1341.58
    n-propanol 795.76
    acetone 2375.74
    n-butanol 741.47
    acetonitrile 1155.94
    DMF 2035.5
    toluene 1519.64
    isobutanol 679.38
    1,4-dioxane 3035.54
    methyl acetate 1277.23
    THF 4860.82
    2-butanone 1844.96
    n-pentanol 499.0
    sec-butanol 712.69
    n-hexane 231.95
    ethylene glycol 130.56
    NMP 2252.14
    cyclohexane 985.15
    DMSO 2111.81
    n-butyl acetate 2066.55
    n-octanol 575.6
    chloroform 3539.11
    n-propyl acetate 930.43
    acetic acid 655.62
    dichloromethane 3471.57
    cyclohexanone 4153.05
    propylene glycol 213.18
    isopropyl acetate 840.85
    DMAc 1200.23
    2-ethoxyethanol 591.14
    isopentanol 622.72
    n-heptane 532.1
    ethyl formate 978.7
    1,2-dichloroethane 2324.09
    n-hexanol 1037.78
    2-methoxyethanol 957.74
    isobutyl acetate 667.09
    tetrachloromethane 1142.81
    n-pentyl acetate 990.84
    transcutol 1421.39
    n-heptanol 541.05
    ethylbenzene 534.5
    MIBK 844.92
    2-propoxyethanol 1147.16
    tert-butanol 949.63
    MTBE 1259.09
    2-butoxyethanol 672.7
    propionic acid 657.03
    o-xylene 796.75
    formic acid 102.42
    diethyl ether 1377.63
    m-xylene 876.0
    p-xylene 717.97
    chlorobenzene 1744.46
    dimethyl carbonate 412.51
    n-octane 195.77
    formamide 204.21
    cyclopentanone 4048.23
    2-pentanone 1610.66
    anisole 886.94
    cyclopentyl methyl ether 2066.32
    gamma-butyrolactone 3212.94
    1-methoxy-2-propanol 794.95
    pyridine 2588.51
    3-pentanone 1287.64
    furfural 2437.75
    n-dodecane 121.29
    diethylene glycol 602.35
    diisopropyl ether 513.77
    tert-amyl alcohol 730.52
    acetylacetone 1507.5
    n-hexadecane 145.46
    acetophenone 840.24
    methyl propionate 976.1
    isopentyl acetate 1538.62
    trichloroethylene 3842.34
    n-nonanol 480.23
    cyclohexanol 1424.29
    benzyl alcohol 654.63
    2-ethylhexanol 795.42
    isooctanol 434.38
    dipropyl ether 1381.43
    1,2-dichlorobenzene 1409.39
    ethyl lactate 320.44
    propylene carbonate 1715.31
    n-methylformamide 779.36
    2-pentanol 558.5
    n-pentane 291.32
    1-propoxy-2-propanol 1044.44
    1-methoxy-2-propyl acetate 1167.75
    2-(2-methoxypropoxy) propanol 502.35
    mesitylene 604.53
    ε-caprolactone 2525.55
    p-cymene 620.2
    epichlorohydrin 2974.08
    1,1,1-trichloroethane 2676.11
    2-aminoethanol 265.62
    morpholine-4-carbaldehyde 2071.79
    sulfolane 3505.74
    2,2,4-trimethylpentane 147.9
    2-methyltetrahydrofuran 3261.78
    n-hexyl acetate 1131.77
    isooctane 138.27
    2-(2-butoxyethoxy)ethanol 715.97
    sec-butyl acetate 580.08
    tert-butyl acetate 951.22
    decalin 285.45
    glycerin 257.84
    diglyme 1525.04
    acrylic acid 525.71
    isopropyl myristate 511.8
    n-butyric acid 1105.62
    acetyl acetate 798.19
    di(2-ethylhexyl) phthalate 393.25
    ethyl propionate 683.86
    nitromethane 1263.33
    1,2-diethoxyethane 1193.94
    benzonitrile 1302.18
    trioctyl phosphate 355.2
    1-bromopropane 1527.38
    gamma-valerolactone 3793.13
    n-decanol 356.7
    triethyl phosphate 448.84
    4-methyl-2-pentanol 333.12
    propionitrile 1071.2
    vinylene carbonate 1529.5
    1,1,2-trichlorotrifluoroethane 1311.44
    DMS 673.81
    cumene 349.97
    2-octanol 459.06
    2-hexanone 1043.28
    octyl acetate 593.83
    limonene 1114.06
    1,2-dimethoxyethane 1529.2
    ethyl orthosilicate 437.73
    tributyl phosphate 391.87
    diacetone alcohol 817.55
    N,N-dimethylaniline 560.15
    acrylonitrile 1151.41
    aniline 1036.7
    1,3-propanediol 445.09
    bromobenzene 2123.24
    dibromomethane 2506.85
    1,1,2,2-tetrachloroethane 2643.41
    2-methyl-cyclohexyl acetate 897.28
    tetrabutyl urea 568.53
    diisobutyl methanol 528.16
    2-phenylethanol 853.01
    styrene 733.24
    dioctyl adipate 600.45
    dimethyl sulfate 636.08
    ethyl butyrate 1229.22
    methyl lactate 355.82
    butyl lactate 589.41
    diethyl carbonate 649.68
    propanediol butyl ether 557.6
    triethyl orthoformate 760.8
    p-tert-butyltoluene 596.78
    methyl 4-tert-butylbenzoate 731.9
    morpholine 2717.58
    tert-butylamine 642.39
    n-dodecanol 290.65
    dimethoxymethane 1232.45
    ethylene carbonate 1392.33
    cyrene 650.02
    2-ethoxyethyl acetate 973.82
    2-ethylhexyl acetate 1332.54
    1,2,4-trichlorobenzene 1430.59
    4-methylpyridine 2560.0
    dibutyl ether 919.07
    2,6-dimethyl-4-heptanol 528.16
    DEF 1411.04
    dimethyl isosorbide 1287.67
    tetrachloroethylene 1861.83
    eugenol 614.08
    triacetin 722.2
    span 80 628.6
    1,4-butanediol 213.73
    1,1-dichloroethane 2375.63
    2-methyl-1-pentanol 419.09
    methyl formate 752.85
    2-methyl-1-butanol 611.09
    n-decane 220.91
    butyronitrile 1305.57
    3,7-dimethyl-1-octanol 525.04
    1-chlorooctane 663.83
    1-chlorotetradecane 268.19
    n-nonane 246.63
    undecane 157.38
    tert-butylcyclohexane 219.36
    cyclooctane 355.52
    cyclopentanol 1434.4
    tetrahydropyran 3528.31
    tert-amyl methyl ether 883.57
    2,5,8-trioxanonane 924.07
    1-hexene 566.52
    2-isopropoxyethanol 480.42
    2,2,2-trifluoroethanol 224.32
    methyl butyrate 1007.18

    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