Butyl methyl disulfide

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  • Identifiers

    CAS number
    60779-24-0

    Molecular formula
    C5H12S2

    SMILES
    CCCCSSC

  • Odor profile

    Fragrance
    Sulfurous 84.29%
    Onion 81.31%
    Alliaceous 75.39%
    Garlic 75.01%
    Green 65.78%
    Vegetable 64.87%
    Savory 56.46%
    Cooked 48.52%
    Meaty 47.08%
    Roasted 40.37%

     

    Flavor
    Onion 73.05%
    Sulfurous 66.73%
    Garlic 60.7%
    Green 52.02%
    Sulfury 40.96%
    Alliaceous 35.36%
    Cabbage 32.3%
    Meaty 30.97%
    Metallic 30.51%
    Cooked 28.76%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    5.01 (weak acid)

    Molecular weight
    136.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    175°C

    Flash point

    • 57.59 ˚C est.

  • Synonyms

    • Methyl butyl disulfide
    • Butyl methyl disulfide
    • Disulfide, butyl methyl
    • 2,3-dithiaheptane
    • 60779-24-0
    • Methyl n-butyl disulfide
    • 1-(Methyldisulfanyl)butane
    • n-Butyl methyl disulfide
    • 6236S3K4VV
    • Methyl n-butyl disulphide
    • 2,3-Diathiaheptane
    • 1-butyl-2-methyldisulfane
    • SCHEMBL575853
    • UNII-6236S3K4VV
    • DTXSID20334793
    • NS00120014

  • Applications

    Butyl methyl disulfide (CAS 60779-24-0) is used as a fragrance ingredient and odorant in perfumery and personal care products, functioning as a scent component and may act as a fixative or odor modifier in formulations. It is also used in household products such as air fresheners, detergents, or cleaners to add or stabilize aroma. In industrial manufacturing, it can serve as a sulfur-containing intermediate in organic synthesis. It may also be considered as an odorant additive for coatings or inks to adjust product aroma, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 751.3
    methanol 325.5
    isopropanol 741.58
    water 0.08
    ethyl acetate 1393.57
    n-propanol 840.46
    acetone 1987.49
    n-butanol 938.08
    acetonitrile 1069.81
    DMF 1203.21
    toluene 1539.33
    isobutanol 665.11
    1,4-dioxane 2807.27
    methyl acetate 1114.46
    THF 4726.42
    2-butanone 1742.6
    n-pentanol 566.69
    sec-butanol 790.61
    n-hexane 391.41
    ethylene glycol 76.37
    NMP 1378.51
    cyclohexane 1517.88
    DMSO 1710.26
    n-butyl acetate 2406.49
    n-octanol 551.91
    chloroform 3563.44
    n-propyl acetate 897.0
    acetic acid 600.96
    dichloromethane 3102.84
    cyclohexanone 3669.62
    propylene glycol 170.27
    isopropyl acetate 820.4
    DMAc 794.97
    2-ethoxyethanol 549.94
    isopentanol 690.48
    n-heptane 1219.18
    ethyl formate 798.51
    1,2-dichloroethane 1916.17
    n-hexanol 1292.44
    2-methoxyethanol 823.47
    isobutyl acetate 562.85
    tetrachloromethane 903.41
    n-pentyl acetate 931.57
    transcutol 2023.92
    n-heptanol 529.08
    ethylbenzene 551.75
    MIBK 737.47
    2-propoxyethanol 1144.5
    tert-butanol 920.63
    MTBE 1049.15
    2-butoxyethanol 629.8
    propionic acid 626.25
    o-xylene 702.88
    formic acid 57.74
    diethyl ether 1463.43
    m-xylene 759.01
    p-xylene 661.6
    chlorobenzene 1547.74
    dimethyl carbonate 273.89
    n-octane 282.61
    formamide 121.44
    cyclopentanone 3352.08
    2-pentanone 1556.4
    anisole 811.42
    cyclopentyl methyl ether 2188.24
    gamma-butyrolactone 2465.88
    1-methoxy-2-propanol 770.99
    pyridine 2917.35
    3-pentanone 1136.98
    furfural 1795.81
    n-dodecane 135.43
    diethylene glycol 458.64
    diisopropyl ether 514.08
    tert-amyl alcohol 732.93
    acetylacetone 1324.9
    n-hexadecane 162.35
    acetophenone 706.77
    methyl propionate 862.1
    isopentyl acetate 1484.86
    trichloroethylene 3298.99
    n-nonanol 468.79
    cyclohexanol 1485.07
    benzyl alcohol 558.14
    2-ethylhexanol 1027.86
    isooctanol 402.85
    dipropyl ether 2151.16
    1,2-dichlorobenzene 1124.59
    ethyl lactate 276.07
    propylene carbonate 1396.21
    n-methylformamide 466.44
    2-pentanol 686.65
    n-pentane 431.42
    1-propoxy-2-propanol 1284.17
    1-methoxy-2-propyl acetate 1166.91
    2-(2-methoxypropoxy) propanol 464.63
    mesitylene 487.56
    ε-caprolactone 2337.53
    p-cymene 660.12
    epichlorohydrin 2345.49
    1,1,1-trichloroethane 2314.27
    2-aminoethanol 192.39
    morpholine-4-carbaldehyde 1477.31
    sulfolane 2329.11
    2,2,4-trimethylpentane 145.95
    2-methyltetrahydrofuran 3520.24
    n-hexyl acetate 1021.15
    isooctane 132.35
    2-(2-butoxyethoxy)ethanol 740.2
    sec-butyl acetate 597.78
    tert-butyl acetate 869.64
    decalin 313.45
    glycerin 178.57
    diglyme 1653.6
    acrylic acid 450.29
    isopropyl myristate 456.13
    n-butyric acid 1205.24
    acetyl acetate 734.99
    di(2-ethylhexyl) phthalate 291.21
    ethyl propionate 725.0
    nitromethane 1012.78
    1,2-diethoxyethane 1632.7
    benzonitrile 1156.09
    trioctyl phosphate 261.62
    1-bromopropane 1775.48
    gamma-valerolactone 2922.22
    n-decanol 339.22
    triethyl phosphate 429.55
    4-methyl-2-pentanol 343.19
    propionitrile 1135.42
    vinylene carbonate 1168.04
    1,1,2-trichlorotrifluoroethane 1007.27
    DMS 522.02
    cumene 304.19
    2-octanol 397.37
    2-hexanone 987.94
    octyl acetate 539.34
    limonene 1307.83
    1,2-dimethoxyethane 1507.19
    ethyl orthosilicate 455.79
    tributyl phosphate 345.87
    diacetone alcohol 717.65
    N,N-dimethylaniline 465.94
    acrylonitrile 1064.33
    aniline 1076.09
    1,3-propanediol 381.33
    bromobenzene 1923.85
    dibromomethane 2467.04
    1,1,2,2-tetrachloroethane 2337.06
    2-methyl-cyclohexyl acetate 862.88
    tetrabutyl urea 517.94
    diisobutyl methanol 643.23
    2-phenylethanol 728.88
    styrene 791.75
    dioctyl adipate 551.35
    dimethyl sulfate 381.41
    ethyl butyrate 1605.92
    methyl lactate 283.71
    butyl lactate 543.94
    diethyl carbonate 759.09
    propanediol butyl ether 477.73
    triethyl orthoformate 945.36
    p-tert-butyltoluene 624.91
    methyl 4-tert-butylbenzoate 529.92
    morpholine 2856.31
    tert-butylamine 707.05
    n-dodecanol 277.11
    dimethoxymethane 910.85
    ethylene carbonate 1118.6
    cyrene 461.47
    2-ethoxyethyl acetate 942.68
    2-ethylhexyl acetate 1318.53
    1,2,4-trichlorobenzene 1168.71
    4-methylpyridine 2406.49
    dibutyl ether 1295.97
    2,6-dimethyl-4-heptanol 643.23
    DEF 1288.46
    dimethyl isosorbide 1065.73
    tetrachloroethylene 1500.45
    eugenol 449.85
    triacetin 686.74
    span 80 626.94
    1,4-butanediol 159.7
    1,1-dichloroethane 2111.08
    2-methyl-1-pentanol 439.31
    methyl formate 410.92
    2-methyl-1-butanol 654.69
    n-decane 274.89
    butyronitrile 1519.87
    3,7-dimethyl-1-octanol 543.02
    1-chlorooctane 668.71
    1-chlorotetradecane 252.35
    n-nonane 322.89
    undecane 181.49
    tert-butylcyclohexane 225.34
    cyclooctane 502.23
    cyclopentanol 1431.7
    tetrahydropyran 4303.99
    tert-amyl methyl ether 801.36
    2,5,8-trioxanonane 971.67
    1-hexene 947.89
    2-isopropoxyethanol 462.41
    2,2,2-trifluoroethanol 146.4
    methyl butyrate 1018.47

    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