Diallyl hexasulfide

Overview IFRA Request a quote

  • Identifiers

    CAS number
    137443-18-6

    Molecular formula
    C6H10S6

    SMILES
    C=CCSSSSSSCC=C

  • Odor profile

    Fragrance
    Onion 87.99%
    Sulfurous 86.81%
    Garlic 85.58%
    Alliaceous 71.7%
    Roasted 65.12%
    Savory 60.0%
    Cooked 55.12%
    Pungent 52.79%
    Meaty 40.09%
    Cabbage 29.9%

     

    Flavor
    Onion 76.24%
    Garlic 75.21%
    Alliaceous 56.63%
    Metallic 44.72%
    Sulfurous 42.35%
    Green 41.68%
    Cooked 34.76%
    Cabbage 33.62%
    Strong 30.93%
    Horseradish 29.33%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    0.31 (strong acid)

    Molecular weight
    274.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 76.00 °C. @ 760.00 mm Hg

    Boiling point

    • 470.00 °C. @ 760.00 mm Hg

    Flash point

    • 212.13 ˚C est.

  • Synonyms

    • diallyl hexasulfide
    • Hexasulfide, di-2-propenyl
    • 137443-18-6
    • Di-2-propenyl hexasulfide
    • Diallylhexasulfid
    • Allyl hexasulfide
    • K3WZ3A4Q5U
    • Di-2-propen-1-yl hexasulfide
    • SCHEMBL2987869
    • Hexasulfide, di-2-propen-1-yl
    • DTXSID20432324
    • BIS(PROP-2-EN-1-YL)HEXASULFANE
    • 4,5,6,7,8,9-Hexathia-1,11-dodecadiene
    • NS00125145

  • Applications

    Diallyl hexasulfide (CAS 137443-18-6) is used primarily as an odorant and fixative in fragrance applications, and may be evaluated for flavor systems to contribute sulfur notes at low concentrations; it is also considered for cosmetics and personal care products as a fragrance ingredient, and may appear in household and cleaning products for fragrance purposes; in materials science and industrial manufacturing, it can serve as a reactive sulfur-containing intermediate or crosslinking component in sulfur-containing polymers and related coatings, inks, or adhesives; these applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 22.06
    methanol 13.57
    isopropanol 20.23
    water 0.0
    ethyl acetate 204.08
    n-propanol 25.28
    acetone 327.2
    n-butanol 30.44
    acetonitrile 106.95
    DMF 785.98
    toluene 370.22
    isobutanol 23.72
    1,4-dioxane 511.0
    methyl acetate 200.16
    THF 1261.38
    2-butanone 264.38
    n-pentanol 30.52
    sec-butanol 28.31
    n-hexane 17.5
    ethylene glycol 5.29
    NMP 1248.32
    cyclohexane 80.0
    DMSO 461.84
    n-butyl acetate 224.33
    n-octanol 28.52
    chloroform 640.05
    n-propyl acetate 150.32
    acetic acid 67.0
    dichloromethane 620.9
    cyclohexanone 700.7
    propylene glycol 12.45
    isopropyl acetate 166.46
    DMAc 749.67
    2-ethoxyethanol 82.9
    isopentanol 33.83
    n-heptane 28.47
    ethyl formate 105.19
    1,2-dichloroethane 452.25
    n-hexanol 43.24
    2-methoxyethanol 119.18
    isobutyl acetate 115.88
    tetrachloromethane 69.73
    n-pentyl acetate 129.71
    transcutol 388.94
    n-heptanol 23.45
    ethylbenzene 129.24
    MIBK 177.52
    2-propoxyethanol 123.7
    tert-butanol 37.61
    MTBE 130.6
    2-butoxyethanol 65.38
    propionic acid 46.49
    o-xylene 176.47
    formic acid 10.87
    diethyl ether 125.36
    m-xylene 195.91
    p-xylene 159.72
    chlorobenzene 478.14
    dimethyl carbonate 152.93
    n-octane 11.92
    formamide 35.6
    cyclopentanone 1080.86
    2-pentanone 254.67
    anisole 350.23
    cyclopentyl methyl ether 536.11
    gamma-butyrolactone 792.17
    1-methoxy-2-propanol 105.76
    pyridine 770.9
    3-pentanone 232.35
    furfural 964.77
    n-dodecane 9.27
    diethylene glycol 61.72
    diisopropyl ether 63.92
    tert-amyl alcohol 44.43
    acetylacetone 527.69
    n-hexadecane 11.69
    acetophenone 357.51
    methyl propionate 205.96
    isopentyl acetate 210.59
    trichloroethylene 1254.77
    n-nonanol 30.98
    cyclohexanol 88.53
    benzyl alcohol 145.11
    2-ethylhexanol 55.95
    isooctanol 24.16
    dipropyl ether 143.75
    1,2-dichlorobenzene 446.5
    ethyl lactate 60.53
    propylene carbonate 392.05
    n-methylformamide 122.97
    2-pentanol 28.04
    n-pentane 16.21
    1-propoxy-2-propanol 127.49
    1-methoxy-2-propyl acetate 317.26
    2-(2-methoxypropoxy) propanol 133.92
    mesitylene 122.93
    ε-caprolactone 463.6
    p-cymene 96.91
    epichlorohydrin 981.45
    1,1,1-trichloroethane 418.51
    2-aminoethanol 12.69
    morpholine-4-carbaldehyde 972.83
    sulfolane 1098.38
    2,2,4-trimethylpentane 13.62
    2-methyltetrahydrofuran 595.23
    n-hexyl acetate 146.42
    isooctane 11.91
    2-(2-butoxyethoxy)ethanol 137.39
    sec-butyl acetate 123.28
    tert-butyl acetate 238.67
    decalin 43.74
    glycerin 23.97
    diglyme 394.46
    acrylic acid 57.22
    isopropyl myristate 83.93
    n-butyric acid 82.31
    acetyl acetate 205.16
    di(2-ethylhexyl) phthalate 85.14
    ethyl propionate 141.42
    nitromethane 303.84
    1,2-diethoxyethane 260.49
    benzonitrile 322.53
    trioctyl phosphate 43.16
    1-bromopropane 192.7
    gamma-valerolactone 1206.76
    n-decanol 25.38
    triethyl phosphate 103.28
    4-methyl-2-pentanol 24.98
    propionitrile 76.13
    vinylene carbonate 349.23
    1,1,2-trichlorotrifluoroethane 503.56
    DMS 219.22
    cumene 73.18
    2-octanol 21.99
    2-hexanone 178.65
    octyl acetate 91.04
    limonene 168.61
    1,2-dimethoxyethane 352.82
    ethyl orthosilicate 97.69
    tributyl phosphate 66.58
    diacetone alcohol 178.11
    N,N-dimethylaniline 242.55
    acrylonitrile 125.83
    aniline 229.34
    1,3-propanediol 23.76
    bromobenzene 686.03
    dibromomethane 366.41
    1,1,2,2-tetrachloroethane 816.58
    2-methyl-cyclohexyl acetate 202.04
    tetrabutyl urea 124.39
    diisobutyl methanol 47.04
    2-phenylethanol 148.17
    styrene 215.28
    dioctyl adipate 148.8
    dimethyl sulfate 304.58
    ethyl butyrate 199.17
    methyl lactate 85.15
    butyl lactate 77.59
    diethyl carbonate 125.24
    propanediol butyl ether 56.8
    triethyl orthoformate 160.83
    p-tert-butyltoluene 107.29
    methyl 4-tert-butylbenzoate 202.66
    morpholine 488.66
    tert-butylamine 27.01
    n-dodecanol 22.22
    dimethoxymethane 346.83
    ethylene carbonate 236.14
    cyrene 243.42
    2-ethoxyethyl acetate 228.82
    2-ethylhexyl acetate 201.18
    1,2,4-trichlorobenzene 567.01
    4-methylpyridine 740.09
    dibutyl ether 112.96
    2,6-dimethyl-4-heptanol 47.04
    DEF 370.89
    dimethyl isosorbide 508.0
    tetrachloroethylene 392.91
    eugenol 162.42
    triacetin 209.46
    span 80 115.97
    1,4-butanediol 13.18
    1,1-dichloroethane 312.64
    2-methyl-1-pentanol 37.69
    methyl formate 134.91
    2-methyl-1-butanol 33.85
    n-decane 14.52
    butyronitrile 100.84
    3,7-dimethyl-1-octanol 47.58
    1-chlorooctane 59.68
    1-chlorotetradecane 29.92
    n-nonane 13.43
    undecane 11.25
    tert-butylcyclohexane 29.66
    cyclooctane 37.89
    cyclopentanol 112.07
    tetrahydropyran 443.57
    tert-amyl methyl ether 141.79
    2,5,8-trioxanonane 283.79
    1-hexene 53.48
    2-isopropoxyethanol 69.92
    2,2,2-trifluoroethanol 31.13
    methyl butyrate 200.12

    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