Di(1-propenyl) trisulfide

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  • Identifiers

    Molecular formula
    C6H10S3

    SMILES
    C/C=C/SSS/C=C/C

  • Odor profile

    Onion 82.77%
    Garlic 77.05%
    Sulfurous 70.34%
    Alliaceous 56.97%
    Pungent 52.85%
    Savory 46.52%
    Cooked 45.18%
    Roasted 42.85%
    Meaty 27.74%
    Radish 27.53%

    Scent© AI

  • Properties

    XLogP3-AA
    2.8

    Molecular weight
    178.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    245°C

    Flash point est.
    111.04 ˚C

  • Synonyms

    • Di-1-propenyl trisulfide
    • di(1-propenyl) trisulfide
    • RWAJLLGQYHTAMT-GGWOSOGESA-N
    • bis-(1-Propenyl) trisulfide, #1
    • Trisulfide, di-1-propenyl, (E,E)-
    • 1,3-Di((E)-prop-1-en-1-yl)trisulfane

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 146.17
    methanol 87.64
    isopropanol 155.45
    water 0.02
    ethyl acetate 847.85
    n-propanol 162.64
    acetone 1723.42
    n-butanol 200.97
    acetonitrile 585.82
    DMF 2576.01
    toluene 1397.66
    isobutanol 158.29
    1,4-dioxane 1944.95
    methyl acetate 831.61
    THF 3637.4
    2-butanone 1140.99
    n-pentanol 152.08
    sec-butanol 172.08
    n-hexane 152.62
    ethylene glycol 33.82
    NMP 3491.68
    cyclohexane 658.7
    DMSO 2014.77
    n-butyl acetate 921.53
    n-octanol 197.19
    chloroform 2106.64
    n-propyl acetate 556.67
    acetic acid 289.84
    dichloromethane 2011.81
    cyclohexanone 2953.83
    propylene glycol 69.76
    isopropyl acetate 580.97
    DMAc 1915.54
    2-ethoxyethanol 272.53
    isopentanol 203.8
    n-heptane 239.8
    ethyl formate 476.79
    1,2-dichloroethane 1538.29
    n-hexanol 253.21
    2-methoxyethanol 457.34
    isobutyl acetate 388.46
    tetrachloromethane 416.18
    n-pentyl acetate 544.72
    transcutol 1149.9
    n-heptanol 139.64
    ethylbenzene 503.52
    MIBK 622.16
    2-propoxyethanol 430.46
    tert-butanol 292.9
    MTBE 632.48
    2-butoxyethanol 265.56
    propionic acid 250.09
    o-xylene 711.38
    formic acid 37.37
    diethyl ether 646.79
    m-xylene 746.87
    p-xylene 671.38
    chlorobenzene 1536.76
    dimethyl carbonate 486.94
    n-octane 105.05
    formamide 117.78
    cyclopentanone 3967.2
    2-pentanone 1068.09
    anisole 967.75
    cyclopentyl methyl ether 1711.86
    gamma-butyrolactone 2816.86
    1-methoxy-2-propanol 383.35
    pyridine 2333.28
    3-pentanone 954.49
    furfural 2459.9
    n-dodecane 75.73
    diethylene glycol 225.71
    diisopropyl ether 300.6
    tert-amyl alcohol 264.47
    acetylacetone 1697.02
    n-hexadecane 92.65
    acetophenone 952.36
    methyl propionate 755.3
    isopentyl acetate 791.01
    trichloroethylene 3249.72
    n-nonanol 197.4
    cyclohexanol 541.75
    benzyl alcohol 438.8
    2-ethylhexanol 299.43
    isooctanol 135.56
    dipropyl ether 665.82
    1,2-dichlorobenzene 1327.59
    ethyl lactate 199.47
    propylene carbonate 1351.25
    n-methylformamide 490.01
    2-pentanol 175.01
    n-pentane 133.3
    1-propoxy-2-propanol 454.04
    1-methoxy-2-propyl acetate 854.86
    2-(2-methoxypropoxy) propanol 400.5
    mesitylene 521.54
    ε-caprolactone 1675.18
    p-cymene 390.95
    epichlorohydrin 2422.5
    1,1,1-trichloroethane 1824.52
    2-aminoethanol 68.03
    morpholine-4-carbaldehyde 2455.33
    sulfolane 4066.55
    2,2,4-trimethylpentane 83.79
    2-methyltetrahydrofuran 2103.24
    n-hexyl acetate 693.38
    isooctane 83.12
    2-(2-butoxyethoxy)ethanol 487.47
    sec-butyl acetate 407.42
    tert-butyl acetate 819.67
    decalin 251.02
    glycerin 101.92
    diglyme 1210.93
    acrylic acid 263.22
    isopropyl myristate 352.66
    n-butyric acid 438.92
    acetyl acetate 704.42
    di(2-ethylhexyl) phthalate 289.76
    ethyl propionate 509.43
    nitromethane 1161.35
    1,2-diethoxyethane 951.07
    benzonitrile 1064.85
    trioctyl phosphate 200.27
    1-bromopropane 797.09
    gamma-valerolactone 3352.82
    n-decanol 162.46
    triethyl phosphate 359.21
    4-methyl-2-pentanol 130.35
    propionitrile 435.19
    vinylene carbonate 1143.69
    1,1,2-trichlorotrifluoroethane 1175.4
    DMS 742.51
    cumene 297.81
    2-octanol 136.22
    2-hexanone 659.13
    octyl acetate 409.33
    limonene 705.99
    1,2-dimethoxyethane 1057.07
    ethyl orthosilicate 340.83
    tributyl phosphate 275.4
    diacetone alcohol 612.18
    N,N-dimethylaniline 665.31
    acrylonitrile 611.27
    aniline 803.86
    1,3-propanediol 126.49
    bromobenzene 2067.4
    dibromomethane 1367.83
    1,1,2,2-tetrachloroethane 2341.26
    2-methyl-cyclohexyl acetate 640.04
    tetrabutyl urea 470.5
    diisobutyl methanol 249.04
    2-phenylethanol 472.07
    styrene 749.62
    dioctyl adipate 515.67
    dimethyl sulfate 991.37
    ethyl butyrate 690.69
    methyl lactate 291.78
    butyl lactate 320.26
    diethyl carbonate 449.09
    propanediol butyl ether 239.52
    triethyl orthoformate 526.77
    p-tert-butyltoluene 424.95
    methyl 4-tert-butylbenzoate 615.46
    morpholine 1682.77
    tert-butylamine 211.41
    n-dodecanol 144.77
    dimethoxymethane 1116.66
    ethylene carbonate 902.91
    cyrene 609.71
    2-ethoxyethyl acetate 742.99
    2-ethylhexyl acetate 746.7
    1,2,4-trichlorobenzene 1519.76
    4-methylpyridine 2354.5
    dibutyl ether 620.44
    2,6-dimethyl-4-heptanol 249.04
    DEF 1254.35
    dimethyl isosorbide 1266.33
    tetrachloroethylene 1270.91
    eugenol 475.75
    triacetin 680.04
    span 80 434.66
    1,4-butanediol 67.53
    1,1-dichloroethane 1297.43
    2-methyl-1-pentanol 163.01
    methyl formate 556.66
    2-methyl-1-butanol 190.91
    n-decane 122.73
    butyronitrile 525.38
    3,7-dimethyl-1-octanol 265.29
    1-chlorooctane 351.3
    1-chlorotetradecane 177.46
    n-nonane 130.42
    undecane 92.65
    tert-butylcyclohexane 186.67
    cyclooctane 290.07
    cyclopentanol 613.31
    tetrahydropyran 1921.54
    tert-amyl methyl ether 576.58
    2,5,8-trioxanonane 847.71
    1-hexene 317.63
    2-isopropoxyethanol 237.83
    2,2,2-trifluoroethanol 131.68
    methyl butyrate 725.49

    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

Botanical

Name CAS Botanical Proportion
Onion 8002-72-0 Allium cepa L., fam. Liliaceae 1.0%
Onion, welsh 8002-72-0 Allium fistulosum L. var. Maichuon, fam. Liliaceae 0.08%
Scallion Allium fistulosum L. var. Caespitosum, fam. Liliaceae 0.04%
Asafoetida (Pakistan) 2 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.68%
Asafoetida (Iran) 1 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.01%