Ethyl allyl disulfide

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  • Identifiers

    CAS number
    72437-63-9

    Molecular formula
    C5H10S2

    SMILES
    CCSSCC=C

    Safety labels

  • Odor profile

    Fragrance
    Onion 87.51%
    Garlic 83.9%
    Sulfurous 82.19%
    Alliaceous 74.21%
    Savory 52.42%
    Cooked 48.89%
    Pungent 47.2%
    Roasted 45.49%
    Cabbage 36.21%
    Radish 35.19%

     

    Flavor
    Onion 84.45%
    Garlic 80.0%
    Green 61.96%
    Alliaceous 58.3%
    Sulfurous 53.72%
    Metallic 46.94%
    Cabbage 35.85%
    Cooked 33.05%
    Radish 31.58%
    Horseradish 30.55%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    5.33 (weak acid)

    Molecular weight
    134.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    175°C

    Flash point

    • 53.37 ˚C est.

  • Synonyms

    • Ethyl allyl disulfide
    • 72437-63-9
    • 3-(ethyldisulfanyl)prop-1-ene
    • 4,5-dithia-1-heptene
    • 3-(ethyldisulfanyl)-1-propene
    • 1-Allyl-2-ethyldisulfane
    • SCHEMBL576155
    • SCHEMBL4454506
    • DTXSID70335497
    • DJLRNCWMAKPXJF-UHFFFAOYSA-N
    • AKOS015897429
    • DB-319529
    • 437E639
    • 72437-63-9

  • Applications

    Ethyl allyl disulfide (CAS 72437-63-9) is an organosulfur compound that can serve as an odor-active component in fragrance formulations and as a flavor precursor in flavor applications; it is also commonly evaluated for use as a fragrance ingredient in cosmetics and personal care, and may be employed in cleaning and household products as a fragrance additive, subject to local regulations and formulation limits. In industrial manufacturing, it can function as a reactive intermediate or building block for sulfur-containing syntheses, enabled by the allyl and disulfide functionalities for further transformations such as polymerization or disulfide exchange; it may also be considered for specialty materials or material applications such as coatings and adhesives, subject to regulatory controls and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 297.18
    methanol 172.85
    isopropanol 272.62
    water 0.09
    ethyl acetate 656.64
    n-propanol 291.92
    acetone 1016.67
    n-butanol 319.15
    acetonitrile 446.66
    DMF 1025.78
    toluene 729.57
    isobutanol 234.46
    1,4-dioxane 1433.44
    methyl acetate 567.22
    THF 2288.65
    2-butanone 829.95
    n-pentanol 226.08
    sec-butanol 290.04
    n-hexane 133.97
    ethylene glycol 45.53
    NMP 1040.68
    cyclohexane 536.63
    DMSO 1277.59
    n-butyl acetate 1069.27
    n-octanol 251.76
    chloroform 1325.25
    n-propyl acetate 425.24
    acetic acid 279.94
    dichloromethane 1361.33
    cyclohexanone 1785.6
    propylene glycol 87.6
    isopropyl acetate 400.96
    DMAc 691.42
    2-ethoxyethanol 292.9
    isopentanol 255.33
    n-heptane 422.46
    ethyl formate 370.56
    1,2-dichloroethane 849.47
    n-hexanol 507.43
    2-methoxyethanol 415.01
    isobutyl acetate 297.58
    tetrachloromethane 350.22
    n-pentyl acetate 476.56
    transcutol 1175.96
    n-heptanol 217.21
    ethylbenzene 273.56
    MIBK 399.96
    2-propoxyethanol 626.78
    tert-butanol 386.06
    MTBE 464.03
    2-butoxyethanol 297.85
    propionic acid 284.06
    o-xylene 390.95
    formic acid 34.29
    diethyl ether 639.57
    m-xylene 423.69
    p-xylene 325.59
    chlorobenzene 749.08
    dimethyl carbonate 179.32
    n-octane 115.98
    formamide 73.01
    cyclopentanone 1727.65
    2-pentanone 758.59
    anisole 458.32
    cyclopentyl methyl ether 993.48
    gamma-butyrolactone 1253.69
    1-methoxy-2-propanol 374.03
    pyridine 1248.94
    3-pentanone 606.42
    furfural 1030.3
    n-dodecane 73.21
    diethylene glycol 306.18
    diisopropyl ether 253.27
    tert-amyl alcohol 317.77
    acetylacetone 795.99
    n-hexadecane 87.73
    acetophenone 449.84
    methyl propionate 469.4
    isopentyl acetate 728.39
    trichloroethylene 1505.31
    n-nonanol 232.08
    cyclohexanol 608.95
    benzyl alcohol 299.39
    2-ethylhexanol 430.65
    isooctanol 176.63
    dipropyl ether 856.16
    1,2-dichlorobenzene 604.41
    ethyl lactate 168.81
    propylene carbonate 677.25
    n-methylformamide 285.81
    2-pentanol 256.4
    n-pentane 150.24
    1-propoxy-2-propanol 633.1
    1-methoxy-2-propyl acetate 679.48
    2-(2-methoxypropoxy) propanol 353.78
    mesitylene 294.2
    ε-caprolactone 1117.14
    p-cymene 345.88
    epichlorohydrin 1143.44
    1,1,1-trichloroethane 1033.37
    2-aminoethanol 94.45
    morpholine-4-carbaldehyde 1053.39
    sulfolane 1405.63
    2,2,4-trimethylpentane 65.36
    2-methyltetrahydrofuran 1549.3
    n-hexyl acetate 565.08
    isooctane 64.06
    2-(2-butoxyethoxy)ethanol 451.46
    sec-butyl acetate 305.47
    tert-butyl acetate 469.05
    decalin 149.96
    glycerin 107.33
    diglyme 940.54
    acrylic acid 213.5
    isopropyl myristate 286.17
    n-butyric acid 479.53
    acetyl acetate 405.24
    di(2-ethylhexyl) phthalate 212.9
    ethyl propionate 356.61
    nitromethane 582.83
    1,2-diethoxyethane 879.03
    benzonitrile 588.41
    trioctyl phosphate 172.75
    1-bromopropane 656.96
    gamma-valerolactone 1580.33
    n-decanol 186.88
    triethyl phosphate 257.31
    4-methyl-2-pentanol 149.43
    propionitrile 433.79
    vinylene carbonate 595.89
    1,1,2-trichlorotrifluoroethane 554.9
    DMS 382.36
    cumene 174.74
    2-octanol 181.23
    2-hexanone 513.48
    octyl acetate 325.23
    limonene 631.97
    1,2-dimethoxyethane 783.4
    ethyl orthosilicate 264.03
    tributyl phosphate 228.27
    diacetone alcohol 420.45
    N,N-dimethylaniline 296.52
    acrylonitrile 469.45
    aniline 453.59
    1,3-propanediol 175.86
    bromobenzene 926.18
    dibromomethane 969.39
    1,1,2,2-tetrachloroethane 1066.03
    2-methyl-cyclohexyl acetate 499.27
    tetrabutyl urea 357.15
    diisobutyl methanol 306.75
    2-phenylethanol 413.71
    styrene 387.36
    dioctyl adipate 348.69
    dimethyl sulfate 306.2
    ethyl butyrate 711.64
    methyl lactate 180.33
    butyl lactate 304.42
    diethyl carbonate 382.39
    propanediol butyl ether 278.42
    triethyl orthoformate 468.03
    p-tert-butyltoluene 343.21
    methyl 4-tert-butylbenzoate 374.99
    morpholine 1284.49
    tert-butylamine 266.84
    n-dodecanol 161.47
    dimethoxymethane 607.26
    ethylene carbonate 514.11
    cyrene 359.94
    2-ethoxyethyl acetate 541.05
    2-ethylhexyl acetate 659.38
    1,2,4-trichlorobenzene 640.46
    4-methylpyridine 1163.54
    dibutyl ether 605.61
    2,6-dimethyl-4-heptanol 306.75
    DEF 733.44
    dimethyl isosorbide 782.33
    tetrachloroethylene 656.8
    eugenol 331.05
    triacetin 455.15
    span 80 392.17
    1,4-butanediol 84.25
    1,1-dichloroethane 889.62
    2-methyl-1-pentanol 190.9
    methyl formate 263.14
    2-methyl-1-butanol 242.77
    n-decane 122.87
    butyronitrile 549.83
    3,7-dimethyl-1-octanol 286.02
    1-chlorooctane 315.96
    1-chlorotetradecane 148.79
    n-nonane 136.86
    undecane 91.28
    tert-butylcyclohexane 115.12
    cyclooctane 209.94
    cyclopentanol 579.43
    tetrahydropyran 1724.45
    tert-amyl methyl ether 394.09
    2,5,8-trioxanonane 668.16
    1-hexene 334.27
    2-isopropoxyethanol 251.12
    2,2,2-trifluoroethanol 82.26
    methyl butyrate 499.68

    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