1-(Prop-1-enyldisulfanyl)-1-(propyldisulfanyl)propane

  • Identifiers

    Molecular formula
    C9H18S4

    SMILES
    CCCSSC(CC)SSC=CC

  • Odor profile

    Fragrance
    Onion 82.24%
    Sulfurous 75.91%
    Garlic 74.32%
    Alliaceous 65.31%
    Savory 54.55%
    Roasted 53.92%
    Cooked 50.72%
    Pungent 43.29%
    Meaty 38.95%
    Cabbage 28.47%

     

    Flavor
    Onion 70.71%
    Garlic 61.68%
    Sulfurous 60.13%
    Alliaceous 49.0%
    Green 45.83%
    Metallic 36.3%
    Cooked 30.47%
    Cabbage 29.75%
    Sulfury 27.18%
    Radish 26.96%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    4.45 (weak acid)

    Molecular weight
    254.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    318°C

    Flash point

    • 151.4 ˚C est.

  • Synonyms

    • 6-ethyl-4,5,7,8-tetrathia-2-undecene
    • MMZWJALGNZCSLI-UHFFFAOYSA-N
  • Applications

    1-(Prop-1-enyldisulfanyl)-1-(propyldisulfanyl)propane is a multifunctional organosulfur compound with two disulfanyl groups and an allyl substituent, often considered as an intermediate and a crosslinking component in polymer formulations. Real-world applications may include crosslinking agents for coatings, paints, and adhesives to enhance network integrity via thiol-ene or thioether formation; building blocks for rubber and plastics systems, providing sulfur for vulcanization or enabling sulfur-containing linkages in polymer networks; feedstocks for synthesizing more complex sulfidic and thioether compounds used in electronics or optical materials; and potential fragrance or cosmetic components as odorants or linking additives, subject to regulatory limits. CAS number:

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1023.9
    methanol 576.36
    isopropanol 909.29
    water 0.03
    ethyl acetate 4067.26
    n-propanol 1007.0
    acetone 7607.81
    n-butanol 1174.86
    acetonitrile 2062.51
    DMF 7879.11
    toluene 6159.52
    isobutanol 868.18
    1,4-dioxane 8019.21
    methyl acetate 2860.53
    THF 13480.7
    2-butanone 4471.01
    n-pentanol 764.21
    sec-butanol 895.91
    n-hexane 414.11
    ethylene glycol 94.87
    NMP 7808.98
    cyclohexane 2527.3
    DMSO 6300.15
    n-butyl acetate 3784.39
    n-octanol 628.5
    chloroform 7859.2
    n-propyl acetate 2100.25
    acetic acid 1137.47
    dichloromethane 7847.29
    cyclohexanone 12506.11
    propylene glycol 220.55
    isopropyl acetate 2557.07
    DMAc 4871.35
    2-ethoxyethanol 1140.37
    isopentanol 1111.07
    n-heptane 648.17
    ethyl formate 1754.1
    1,2-dichloroethane 6176.15
    n-hexanol 1198.25
    2-methoxyethanol 2009.66
    isobutyl acetate 1358.59
    tetrachloromethane 1478.93
    n-pentyl acetate 1888.04
    transcutol 4187.62
    n-heptanol 518.94
    ethylbenzene 1416.11
    MIBK 2441.83
    2-propoxyethanol 1809.76
    tert-butanol 1339.85
    MTBE 2811.7
    2-butoxyethanol 932.85
    propionic acid 893.73
    o-xylene 2118.12
    formic acid 120.17
    diethyl ether 3839.41
    m-xylene 2678.11
    p-xylene 1712.53
    chlorobenzene 5049.98
    dimethyl carbonate 1265.72
    n-octane 205.13
    formamide 373.95
    cyclopentanone 11676.07
    2-pentanone 4889.57
    anisole 2554.01
    cyclopentyl methyl ether 6682.9
    gamma-butyrolactone 7748.26
    1-methoxy-2-propanol 1498.83
    pyridine 9814.88
    3-pentanone 3634.55
    furfural 5991.53
    n-dodecane 125.98
    diethylene glycol 763.16
    diisopropyl ether 1187.97
    tert-amyl alcohol 1127.54
    acetylacetone 5715.92
    n-hexadecane 160.31
    acetophenone 2435.71
    methyl propionate 2886.69
    isopentyl acetate 2902.94
    trichloroethylene 12629.25
    n-nonanol 580.86
    cyclohexanol 2541.92
    benzyl alcohol 1359.49
    2-ethylhexanol 1035.77
    isooctanol 470.71
    dipropyl ether 2599.51
    1,2-dichlorobenzene 3568.7
    ethyl lactate 520.17
    propylene carbonate 3429.19
    n-methylformamide 1732.7
    2-pentanol 921.16
    n-pentane 494.9
    1-propoxy-2-propanol 1675.61
    1-methoxy-2-propyl acetate 2982.41
    2-(2-methoxypropoxy) propanol 1026.36
    mesitylene 1506.86
    ε-caprolactone 5892.69
    p-cymene 976.89
    epichlorohydrin 8289.85
    1,1,1-trichloroethane 6716.55
    2-aminoethanol 267.22
    morpholine-4-carbaldehyde 6653.8
    sulfolane 8940.0
    2,2,4-trimethylpentane 216.96
    2-methyltetrahydrofuran 8431.33
    n-hexyl acetate 2178.72
    isooctane 210.06
    2-(2-butoxyethoxy)ethanol 1387.58
    sec-butyl acetate 1435.58
    tert-butyl acetate 3113.78
    decalin 564.17
    glycerin 283.8
    diglyme 3422.16
    acrylic acid 753.62
    isopropyl myristate 901.11
    n-butyric acid 1999.08
    acetyl acetate 2351.74
    di(2-ethylhexyl) phthalate 686.0
    ethyl propionate 1700.31
    nitromethane 3661.76
    1,2-diethoxyethane 3355.76
    benzonitrile 3206.37
    trioctyl phosphate 507.44
    1-bromopropane 3560.72
    gamma-valerolactone 11994.09
    n-decanol 435.29
    triethyl phosphate 827.42
    4-methyl-2-pentanol 557.92
    propionitrile 1696.78
    vinylene carbonate 3030.32
    1,1,2-trichlorotrifluoroethane 3272.04
    DMS 1775.16
    cumene 670.07
    2-octanol 451.98
    2-hexanone 2358.86
    octyl acetate 1040.87
    limonene 1978.75
    1,2-dimethoxyethane 3781.24
    ethyl orthosilicate 840.0
    tributyl phosphate 706.38
    diacetone alcohol 2092.06
    N,N-dimethylaniline 1478.18
    acrylonitrile 2079.2
    aniline 2947.05
    1,3-propanediol 595.3
    bromobenzene 6683.79
    dibromomethane 5205.02
    1,1,2,2-tetrachloroethane 8136.35
    2-methyl-cyclohexyl acetate 1672.37
    tetrabutyl urea 1101.9
    diisobutyl methanol 755.42
    2-phenylethanol 1582.03
    styrene 2289.05
    dioctyl adipate 1217.36
    dimethyl sulfate 1961.38
    ethyl butyrate 2259.29
    methyl lactate 726.77
    butyl lactate 950.6
    diethyl carbonate 1196.71
    propanediol butyl ether 779.96
    triethyl orthoformate 1570.78
    p-tert-butyltoluene 970.15
    methyl 4-tert-butylbenzoate 1465.2
    morpholine 7878.57
    tert-butylamine 897.8
    n-dodecanol 355.77
    dimethoxymethane 4281.51
    ethylene carbonate 2686.42
    cyrene 1391.49
    2-ethoxyethyl acetate 2584.66
    2-ethylhexyl acetate 2580.01
    1,2,4-trichlorobenzene 3763.86
    4-methylpyridine 9893.34
    dibutyl ether 1907.08
    2,6-dimethyl-4-heptanol 755.42
    DEF 5148.13
    dimethyl isosorbide 2864.49
    tetrachloroethylene 4613.36
    eugenol 1136.23
    triacetin 1703.81
    span 80 1121.45
    1,4-butanediol 239.28
    1,1-dichloroethane 5464.99
    2-methyl-1-pentanol 760.12
    methyl formate 1626.39
    2-methyl-1-butanol 999.92
    n-decane 237.88
    butyronitrile 2513.83
    3,7-dimethyl-1-octanol 764.8
    1-chlorooctane 897.86
    1-chlorotetradecane 356.67
    n-nonane 250.73
    undecane 163.46
    tert-butylcyclohexane 373.52
    cyclooctane 794.72
    cyclopentanol 2100.12
    tetrahydropyran 10052.57
    tert-amyl methyl ether 2065.72
    2,5,8-trioxanonane 2084.4
    1-hexene 1207.39
    2-isopropoxyethanol 838.32
    2,2,2-trifluoroethanol 352.24
    methyl butyrate 2513.23

    Scent© AI

1 of 4
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
Name CAS Botanical Proportion
Onion, welsh 8002-72-0 Allium fistulosum L. var. Maichuon, fam. Liliaceae 0.13%
Scallion Allium fistulosum L. var. Caespitosum, fam. Liliaceae 0.02%