Butyl ethyl disulfide

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  • Identifiers

    CAS number
    63986-03-8

    Molecular formula
    C6H14S2

    SMILES
    CCCCSSCC

  • Odor profile

    Fragrance
    Sulfurous 85.95%
    Onion 80.62%
    Alliaceous 78.42%
    Garlic 74.66%
    Green 72.48%
    Vegetable 65.17%
    Savory 57.78%
    Meaty 48.7%
    Cooked 46.58%
    Roasted 41.25%

     

    Flavor
    Onion 73.51%
    Sulfurous 66.24%
    Garlic 62.05%
    Green 52.03%
    Sulfury 39.74%
    Alliaceous 37.61%
    Metallic 32.27%
    Cabbage 29.94%
    Cooked 28.99%
    Meaty 28.61%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    5.98 (weak acid)

    Molecular weight
    150.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    190°C

    Flash point

    • 71.61 ˚C est.

    Solubility expt.

    • Soluble in non-polar solvents; insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Butyl ethyl disulfide
    • 63986-03-8
    • Disulfide, butyl ethyl
    • 1-(Ethyldisulfanyl)butane
    • 1-ethyldisulfanylbutane
    • ethyl butyl disulfide
    • Ethyl n-butyl disulfide
    • Ethyl n-butyl disulphide
    • UNII-547878JR6J
    • 3,4-Dithiaoctane
    • 547878JR6J
    • N-BUTYL ETHYL DISULFIDE
    • 1-ETHYLDISULFANYL-BUTANE
    • FEMA NO. 4027
    • DTXSID50213901
    • BUTYL ETHYL DISULFIDE [FHFI]
    • 1-(ethyldisulanyl)butane
    • 3,4- DITHIAOCTANE
    • 1-(Ethyldisulfanyl)butane #
    • SCHEMBL575889
    • 1- ETHYLDISULFANYLBUTANE
    • DTXCID40136392
    • CHEBI:173639
    • AKOS006280258
    • DB-220239
    • NS00124640
    • Q27261180

  • Applications

    Butyl ethyl disulfide (CAS 63986-03-8) is primarily used in fragrance and odorant applications as a sulfur-containing aroma ingredient and, in some cases, an intermediate for sulfur-containing derivatives. In cosmetics and personal care, it may be employed as a fragrance component or aroma modifier within regulated formulation limits. It can also be used in household cleaning products as a component contributing sulfur-note odors, helping to mask or enhance product scent. In industrial manufacturing, the compound may be evaluated as an intermediate for sulfur-containing specialty chemicals or used in the development of fragrance-related materials, under proper handling and regulatory compliance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2069.36
    methanol 1106.92
    isopropanol 1937.74
    water 0.07
    ethyl acetate 4561.91
    n-propanol 2144.92
    acetone 7008.37
    n-butanol 2391.69
    acetonitrile 3360.25
    DMF 3944.25
    toluene 4481.77
    isobutanol 1694.43
    1,4-dioxane 8633.16
    methyl acetate 3396.43
    THF 12409.3
    2-butanone 5101.86
    n-pentanol 1384.39
    sec-butanol 1978.92
    n-hexane 1306.46
    ethylene glycol 170.06
    NMP 3927.77
    cyclohexane 4836.37
    DMSO 5274.05
    n-butyl acetate 6750.13
    n-octanol 1216.9
    chloroform 8978.74
    n-propyl acetate 2780.82
    acetic acid 1625.51
    dichloromethane 8135.19
    cyclohexanone 10937.1
    propylene glycol 388.53
    isopropyl acetate 2678.17
    DMAc 2452.98
    2-ethoxyethanol 1465.25
    isopentanol 1906.03
    n-heptane 2632.03
    ethyl formate 2164.49
    1,2-dichloroethane 5780.27
    n-hexanol 2838.72
    2-methoxyethanol 2275.96
    isobutyl acetate 1544.83
    tetrachloromethane 2274.02
    n-pentyl acetate 2500.94
    transcutol 5415.32
    n-heptanol 1089.92
    ethylbenzene 1525.6
    MIBK 2281.67
    2-propoxyethanol 2928.29
    tert-butanol 2650.67
    MTBE 3747.49
    2-butoxyethanol 1484.79
    propionic acid 1607.14
    o-xylene 1914.77
    formic acid 154.36
    diethyl ether 5418.86
    m-xylene 2070.3
    p-xylene 1825.79
    chlorobenzene 4270.98
    dimethyl carbonate 786.24
    n-octane 645.9
    formamide 341.08
    cyclopentanone 9139.92
    2-pentanone 4846.15
    anisole 2207.56
    cyclopentyl methyl ether 6315.46
    gamma-butyrolactone 6149.02
    1-methoxy-2-propanol 2001.27
    pyridine 8357.45
    3-pentanone 3609.53
    furfural 4731.83
    n-dodecane 275.11
    diethylene glycol 1073.54
    diisopropyl ether 1727.87
    tert-amyl alcohol 2040.48
    acetylacetone 4006.44
    n-hexadecane 337.37
    acetophenone 1914.96
    methyl propionate 2597.57
    isopentyl acetate 4141.89
    trichloroethylene 9283.74
    n-nonanol 1019.71
    cyclohexanol 3850.39
    benzyl alcohol 1361.58
    2-ethylhexanol 2287.85
    isooctanol 891.27
    dipropyl ether 5801.82
    1,2-dichlorobenzene 2972.97
    ethyl lactate 649.4
    propylene carbonate 3341.42
    n-methylformamide 1398.31
    2-pentanol 1817.67
    n-pentane 1237.26
    1-propoxy-2-propanol 3068.39
    1-methoxy-2-propyl acetate 3148.2
    2-(2-methoxypropoxy) propanol 1047.27
    mesitylene 1314.32
    ε-caprolactone 6343.91
    p-cymene 1432.12
    epichlorohydrin 6166.34
    1,1,1-trichloroethane 7130.7
    2-aminoethanol 464.58
    morpholine-4-carbaldehyde 4178.49
    sulfolane 6192.79
    2,2,4-trimethylpentane 412.98
    2-methyltetrahydrofuran 9713.19
    n-hexyl acetate 2725.36
    isooctane 373.01
    2-(2-butoxyethoxy)ethanol 1661.04
    sec-butyl acetate 1712.53
    tert-butyl acetate 2798.52
    decalin 878.42
    glycerin 412.67
    diglyme 3993.71
    acrylic acid 1109.94
    isopropyl myristate 1079.02
    n-butyric acid 3275.41
    acetyl acetate 2249.3
    di(2-ethylhexyl) phthalate 641.27
    ethyl propionate 2097.08
    nitromethane 3085.75
    1,2-diethoxyethane 4930.63
    benzonitrile 3149.4
    trioctyl phosphate 553.16
    1-bromopropane 5268.16
    gamma-valerolactone 7969.04
    n-decanol 709.18
    triethyl phosphate 1028.79
    4-methyl-2-pentanol 911.5
    propionitrile 3184.54
    vinylene carbonate 2811.55
    1,1,2-trichlorotrifluoroethane 2700.03
    DMS 1396.76
    cumene 758.07
    2-octanol 887.02
    2-hexanone 2968.5
    octyl acetate 1227.69
    limonene 3192.79
    1,2-dimethoxyethane 4451.54
    ethyl orthosilicate 1127.98
    tributyl phosphate 806.44
    diacetone alcohol 1992.39
    N,N-dimethylaniline 1201.68
    acrylonitrile 3016.89
    aniline 2845.98
    1,3-propanediol 957.37
    bromobenzene 5257.26
    dibromomethane 6579.21
    1,1,2,2-tetrachloroethane 7068.4
    2-methyl-cyclohexyl acetate 2005.76
    tetrabutyl urea 1143.51
    diisobutyl methanol 1481.34
    2-phenylethanol 1711.26
    styrene 2359.59
    dioctyl adipate 1250.14
    dimethyl sulfate 1112.21
    ethyl butyrate 4060.33
    methyl lactate 702.88
    butyl lactate 1301.36
    diethyl carbonate 1922.85
    propanediol butyl ether 1091.55
    triethyl orthoformate 2452.86
    p-tert-butyltoluene 1378.22
    methyl 4-tert-butylbenzoate 1179.84
    morpholine 8669.55
    tert-butylamine 2032.43
    n-dodecanol 559.17
    dimethoxymethane 2768.33
    ethylene carbonate 2816.38
    cyrene 970.59
    2-ethoxyethyl acetate 2488.94
    2-ethylhexyl acetate 3560.95
    1,2,4-trichlorobenzene 3024.89
    4-methylpyridine 7215.23
    dibutyl ether 3556.33
    2,6-dimethyl-4-heptanol 1481.34
    DEF 4046.25
    dimethyl isosorbide 2367.17
    tetrachloroethylene 4449.04
    eugenol 966.89
    triacetin 1683.86
    span 80 1350.11
    1,4-butanediol 366.77
    1,1-dichloroethane 6383.71
    2-methyl-1-pentanol 1143.08
    methyl formate 1156.82
    2-methyl-1-butanol 1712.03
    n-decane 608.96
    butyronitrile 4382.41
    3,7-dimethyl-1-octanol 1313.95
    1-chlorooctane 1549.63
    1-chlorotetradecane 542.54
    n-nonane 742.8
    undecane 380.04
    tert-butylcyclohexane 613.73
    cyclooctane 1411.61
    cyclopentanol 3469.66
    tetrahydropyran 13389.59
    tert-amyl methyl ether 2513.79
    2,5,8-trioxanonane 2143.87
    1-hexene 3025.37
    2-isopropoxyethanol 1131.49
    2,2,2-trifluoroethanol 391.02
    methyl butyrate 3115.15

    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