Di-2-propenyl heptasulfide

Overview IFRA Request a quote

  • Identifiers

    CAS number
    139693-24-6

    Molecular formula
    C6H10S7

    SMILES
    C=CCSSSSSSSCC=C

    Safety labels

  • Odor profile

    Fragrance
    Onion 86.96%
    Sulfurous 86.61%
    Garlic 84.66%
    Alliaceous 69.93%
    Roasted 64.58%
    Savory 59.78%
    Cooked 55.04%
    Pungent 51.78%
    Meaty 40.29%
    Cabbage 29.02%

     

    Flavor
    Onion 73.88%
    Garlic 72.93%
    Alliaceous 54.54%
    Metallic 42.46%
    Sulfurous 41.26%
    Green 38.61%
    Cooked 34.22%
    Cabbage 33.34%
    Strong 30.03%
    Horseradish 27.24%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    -0.49 (strong acid)

    Molecular weight
    306.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 121.00 °C. @ 760.00 mm Hg

    Boiling point

    • 539.00 °C. @ 760.00 mm Hg

    Flash point

    • 242.99 ˚C est.

  • Synonyms

    • Di-2-propenyl heptasulfide
    • diallyl heptasulfide
    • Allyl heptasulfide
    • SCHEMBL389755
    • Di(prop-2-en-1-yl)heptasulfane
    • bis(prop-2-en-1-yl)heptasulfane
    • CHEBI:169612
    • DTXSID201019987
    • 3-(prop-2-enylheptasulanyl)prop-1-ene
    • 139693-24-6
    • NS00121721
    • 4,5,6,7,8,9,10-Heptathia-1,12-tridecadiene
    • 139693-24-6

  • Applications

    Di-2-propenyl heptasulfide (CAS 139693-24-6) may be used as a sulfur-containing crosslinking agent or reactive intermediate in rubber, polymer, and coatings formulations, contributing to network formation and modified cure behavior due to its diallyl and polysulfide structure. It can serve as a reactive intermediate in organic synthesis, enabling introduction of allyl and polysulfide functionalities into specialized downstream products. In coatings, sealants, and adhesives, it may act as a crosslinker or processing additive to enhance chemical resistance and adhesion. In perfumery and flavor applications, sulfur-containing organosulfur compounds can provide distinctive notes; therefore this compound may be evaluated as an odorant or fragrance ingredient within regulatory limits. Additionally, it can be considered as a precursor for synthesis of specialized organosulfur compounds in chemical manufacturing, subject to formulation constraints and regulatory compliance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.77
    methanol 9.24
    isopropanol 13.92
    water 0.0
    ethyl acetate 157.71
    n-propanol 18.46
    acetone 255.2
    n-butanol 21.62
    acetonitrile 79.83
    DMF 645.35
    toluene 285.48
    isobutanol 17.05
    1,4-dioxane 405.05
    methyl acetate 158.43
    THF 1067.27
    2-butanone 206.12
    n-pentanol 21.99
    sec-butanol 20.21
    n-hexane 11.12
    ethylene glycol 3.77
    NMP 1141.6
    cyclohexane 51.15
    DMSO 340.75
    n-butyl acetate 172.65
    n-octanol 17.81
    chloroform 532.14
    n-propyl acetate 120.34
    acetic acid 52.39
    dichloromethane 517.8
    cyclohexanone 552.82
    propylene glycol 9.04
    isopropyl acetate 131.76
    DMAc 656.53
    2-ethoxyethanol 64.83
    isopentanol 23.61
    n-heptane 18.01
    ethyl formate 81.02
    1,2-dichloroethane 365.51
    n-hexanol 30.14
    2-methoxyethanol 93.18
    isobutyl acetate 92.11
    tetrachloromethane 55.13
    n-pentyl acetate 96.92
    transcutol 281.81
    n-heptanol 16.04
    ethylbenzene 98.75
    MIBK 136.48
    2-propoxyethanol 98.94
    tert-butanol 26.01
    MTBE 96.6
    2-butoxyethanol 50.4
    propionic acid 35.31
    o-xylene 137.6
    formic acid 8.91
    diethyl ether 93.44
    m-xylene 147.97
    p-xylene 122.2
    chlorobenzene 391.5
    dimethyl carbonate 135.49
    n-octane 6.76
    formamide 29.84
    cyclopentanone 931.83
    2-pentanone 194.73
    anisole 292.82
    cyclopentyl methyl ether 449.38
    gamma-butyrolactone 706.45
    1-methoxy-2-propanol 81.81
    pyridine 624.94
    3-pentanone 183.67
    furfural 858.69
    n-dodecane 5.39
    diethylene glycol 49.02
    diisopropyl ether 46.55
    tert-amyl alcohol 31.42
    acetylacetone 437.57
    n-hexadecane 6.89
    acetophenone 299.31
    methyl propionate 164.69
    isopentyl acetate 163.43
    trichloroethylene 1060.61
    n-nonanol 20.12
    cyclohexanol 62.68
    benzyl alcohol 112.74
    2-ethylhexanol 38.68
    isooctanol 16.8
    dipropyl ether 110.5
    1,2-dichlorobenzene 374.78
    ethyl lactate 49.89
    propylene carbonate 346.28
    n-methylformamide 100.95
    2-pentanol 19.74
    n-pentane 10.32
    1-propoxy-2-propanol 97.76
    1-methoxy-2-propyl acetate 273.74
    2-(2-methoxypropoxy) propanol 107.42
    mesitylene 92.92
    ε-caprolactone 379.16
    p-cymene 75.64
    epichlorohydrin 855.33
    1,1,1-trichloroethane 339.75
    2-aminoethanol 9.71
    morpholine-4-carbaldehyde 858.08
    sulfolane 973.25
    2,2,4-trimethylpentane 9.31
    2-methyltetrahydrofuran 500.64
    n-hexyl acetate 104.88
    isooctane 7.87
    2-(2-butoxyethoxy)ethanol 103.03
    sec-butyl acetate 100.14
    tert-butyl acetate 194.46
    decalin 29.28
    glycerin 18.56
    diglyme 311.56
    acrylic acid 45.05
    isopropyl myristate 61.83
    n-butyric acid 63.02
    acetyl acetate 170.53
    di(2-ethylhexyl) phthalate 66.38
    ethyl propionate 115.14
    nitromethane 254.17
    1,2-diethoxyethane 196.74
    benzonitrile 255.4
    trioctyl phosphate 32.63
    1-bromopropane 148.24
    gamma-valerolactone 1037.0
    n-decanol 16.62
    triethyl phosphate 87.01
    4-methyl-2-pentanol 17.39
    propionitrile 57.85
    vinylene carbonate 299.47
    1,1,2-trichlorotrifluoroethane 457.16
    DMS 185.88
    cumene 54.8
    2-octanol 14.43
    2-hexanone 141.92
    octyl acetate 67.34
    limonene 133.03
    1,2-dimethoxyethane 275.52
    ethyl orthosilicate 80.3
    tributyl phosphate 51.54
    diacetone alcohol 141.43
    N,N-dimethylaniline 199.54
    acrylonitrile 98.97
    aniline 183.06
    1,3-propanediol 17.55
    bromobenzene 552.79
    dibromomethane 286.12
    1,1,2,2-tetrachloroethane 693.58
    2-methyl-cyclohexyl acetate 164.46
    tetrabutyl urea 98.93
    diisobutyl methanol 32.44
    2-phenylethanol 116.58
    styrene 166.6
    dioctyl adipate 117.34
    dimethyl sulfate 281.03
    ethyl butyrate 160.04
    methyl lactate 70.69
    butyl lactate 61.22
    diethyl carbonate 100.76
    propanediol butyl ether 41.22
    triethyl orthoformate 132.24
    p-tert-butyltoluene 82.97
    methyl 4-tert-butylbenzoate 170.29
    morpholine 399.22
    tert-butylamine 18.28
    n-dodecanol 14.52
    dimethoxymethane 282.76
    ethylene carbonate 200.29
    cyrene 213.39
    2-ethoxyethyl acetate 183.26
    2-ethylhexyl acetate 154.78
    1,2,4-trichlorobenzene 492.57
    4-methylpyridine 601.8
    dibutyl ether 75.4
    2,6-dimethyl-4-heptanol 32.44
    DEF 306.7
    dimethyl isosorbide 448.09
    tetrachloroethylene 327.49
    eugenol 135.71
    triacetin 173.93
    span 80 92.12
    1,4-butanediol 9.51
    1,1-dichloroethane 250.15
    2-methyl-1-pentanol 26.81
    methyl formate 111.72
    2-methyl-1-butanol 24.23
    n-decane 8.12
    butyronitrile 72.39
    3,7-dimethyl-1-octanol 31.03
    1-chlorooctane 37.93
    1-chlorotetradecane 19.74
    n-nonane 7.13
    undecane 6.45
    tert-butylcyclohexane 20.07
    cyclooctane 23.36
    cyclopentanol 85.83
    tetrahydropyran 349.94
    tert-amyl methyl ether 108.26
    2,5,8-trioxanonane 233.07
    1-hexene 37.96
    2-isopropoxyethanol 54.92
    2,2,2-trifluoroethanol 26.89
    methyl butyrate 160.45

    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