1-Methyl-3-(prop-1-EN-1-YL)trisulfane

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  • Identifiers

    CAS number
    33368-80-8

    Molecular formula
    C4H8S3

    SMILES
    CC=CSSSC

  • Odor profile

    Onion 86.45%
    Garlic 80.63%
    Sulfurous 77.54%
    Alliaceous 62.62%
    Pungent 51.53%
    Cooked 50.59%
    Savory 50.42%
    Roasted 45.92%
    Meaty 31.93%
    Cabbage 30.79%

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  • Properties

    XLogP3-AA
    2.1

    Molecular weight
    152.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    222°C

    Flash point est.
    85.59 ˚C

  • Synonyms

    • 33368-80-8
    • DTXSID40954992
    • 1-METHYL-3-(PROP-1-EN-1-YL)TRISULFANE
    • Methyl-1-propenyl trisulfide
    • methyl-1-propenyl-trisulfide
    • 1-(methyltrisulfanyl)prop-1-ene
    • WPRUFZZPIFLBDG-UHFFFAOYSA-N
    • DTXCID401382998
    • NS00126405

  • Applications

    1-Methyl-3-(prop-1-en-1-yl)trisulfane (CAS 33368-80-8) is a mixed alkyl/alkenyl trisulfide with a characteristic sulfurous odor, used as a flavor ingredient for savory, meaty, and onion-garlic notes and as a GC-MS/olfactometry reference standard in studies of Allium volatiles; as a sulfur-transfer reagent and sulfur source in organic synthesis (radical processes, thiofunctionalization, thiol-ene chemistry), in rubber modification and vulcanization to tune crosslink density, and as an extreme-pressure/antiwear additive and corrosion inhibitor in lubricants and cutting fluids; as a precursor/sulfur donor for research on metal sulfide materials and sulfur-rich polymers; additionally, allyl/methyl trisulfide analogs have been investigated for antibacterial, antifungal, and insect-repellent/fumigant effects, suggesting potential in green pesticide and postharvest storage applications (any practical use must follow safety assessment and regulatory compliance).

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 288.83
    methanol 191.03
    isopropanol 279.78
    water 0.21
    ethyl acetate 777.65
    n-propanol 273.09
    acetone 1552.27
    n-butanol 301.59
    acetonitrile 637.08
    DMF 2227.45
    toluene 1087.87
    isobutanol 246.58
    1,4-dioxane 1790.06
    methyl acetate 799.86
    THF 2651.61
    2-butanone 1104.03
    n-pentanol 231.85
    sec-butanol 287.72
    n-hexane 139.59
    ethylene glycol 75.96
    NMP 2085.33
    cyclohexane 565.39
    DMSO 1831.73
    n-butyl acetate 1004.0
    n-octanol 297.85
    chloroform 1716.3
    n-propyl acetate 576.32
    acetic acid 357.43
    dichloromethane 1622.31
    cyclohexanone 2242.82
    propylene glycol 114.07
    isopropyl acetate 525.36
    DMAc 1470.52
    2-ethoxyethanol 377.82
    isopentanol 262.48
    n-heptane 325.06
    ethyl formate 486.76
    1,2-dichloroethane 1062.12
    n-hexanol 397.39
    2-methoxyethanol 584.54
    isobutyl acetate 372.28
    tetrachloromethane 451.35
    n-pentyl acetate 551.9
    transcutol 1207.66
    n-heptanol 227.21
    ethylbenzene 442.38
    MIBK 565.72
    2-propoxyethanol 641.36
    tert-butanol 447.87
    MTBE 630.47
    2-butoxyethanol 360.18
    propionic acid 302.87
    o-xylene 621.47
    formic acid 54.05
    diethyl ether 675.63
    m-xylene 664.73
    p-xylene 546.3
    chlorobenzene 1045.21
    dimethyl carbonate 371.87
    n-octane 127.84
    formamide 145.45
    cyclopentanone 2512.08
    2-pentanone 995.82
    anisole 820.37
    cyclopentyl methyl ether 1203.8
    gamma-butyrolactone 1792.28
    1-methoxy-2-propanol 503.78
    pyridine 1653.5
    3-pentanone 854.47
    furfural 1711.72
    n-dodecane 101.49
    diethylene glycol 381.06
    diisopropyl ether 311.37
    tert-amyl alcohol 363.01
    acetylacetone 1309.79
    n-hexadecane 119.52
    acetophenone 784.67
    methyl propionate 665.89
    isopentyl acetate 745.78
    trichloroethylene 2065.01
    n-nonanol 281.49
    cyclohexanol 622.35
    benzyl alcohol 464.38
    2-ethylhexanol 391.36
    isooctanol 199.76
    dipropyl ether 778.41
    1,2-dichlorobenzene 944.91
    ethyl lactate 234.56
    propylene carbonate 926.32
    n-methylformamide 528.53
    2-pentanol 257.6
    n-pentane 149.91
    1-propoxy-2-propanol 629.07
    1-methoxy-2-propyl acetate 823.93
    2-(2-methoxypropoxy) propanol 444.28
    mesitylene 470.59
    ε-caprolactone 1316.1
    p-cymene 427.68
    epichlorohydrin 1594.08
    1,1,1-trichloroethane 1511.33
    2-aminoethanol 122.03
    morpholine-4-carbaldehyde 2003.34
    sulfolane 2261.32
    2,2,4-trimethylpentane 81.74
    2-methyltetrahydrofuran 1667.21
    n-hexyl acetate 684.74
    isooctane 81.16
    2-(2-butoxyethoxy)ethanol 561.15
    sec-butyl acetate 400.56
    tert-butyl acetate 682.26
    decalin 214.27
    glycerin 158.62
    diglyme 1222.9
    acrylic acid 296.8
    isopropyl myristate 384.3
    n-butyric acid 462.84
    acetyl acetate 579.24
    di(2-ethylhexyl) phthalate 292.32
    ethyl propionate 508.87
    nitromethane 976.59
    1,2-diethoxyethane 882.91
    benzonitrile 890.91
    trioctyl phosphate 233.9
    1-bromopropane 683.66
    gamma-valerolactone 2425.35
    n-decanol 236.19
    triethyl phosphate 346.58
    4-methyl-2-pentanol 165.04
    propionitrile 477.13
    vinylene carbonate 878.42
    1,1,2-trichlorotrifluoroethane 880.54
    DMS 589.77
    cumene 281.9
    2-octanol 211.98
    2-hexanone 695.45
    octyl acetate 435.27
    limonene 717.57
    1,2-dimethoxyethane 1108.59
    ethyl orthosilicate 346.32
    tributyl phosphate 284.69
    diacetone alcohol 631.13
    N,N-dimethylaniline 549.26
    acrylonitrile 631.27
    aniline 676.66
    1,3-propanediol 215.55
    bromobenzene 1323.09
    dibromomethane 1112.06
    1,1,2,2-tetrachloroethane 1515.24
    2-methyl-cyclohexyl acetate 603.01
    tetrabutyl urea 462.71
    diisobutyl methanol 303.79
    2-phenylethanol 552.95
    styrene 590.41
    dioctyl adipate 478.38
    dimethyl sulfate 666.42
    ethyl butyrate 759.48
    methyl lactate 285.0
    butyl lactate 348.98
    diethyl carbonate 467.67
    propanediol butyl ether 348.12
    triethyl orthoformate 520.86
    p-tert-butyltoluene 441.17
    methyl 4-tert-butylbenzoate 583.67
    morpholine 1552.72
    tert-butylamine 297.06
    n-dodecanol 210.75
    dimethoxymethane 1003.7
    ethylene carbonate 720.97
    cyrene 578.65
    2-ethoxyethyl acetate 658.3
    2-ethylhexyl acetate 705.53
    1,2,4-trichlorobenzene 1054.04
    4-methylpyridine 1639.48
    dibutyl ether 624.27
    2,6-dimethyl-4-heptanol 303.79
    DEF 1058.1
    dimethyl isosorbide 1072.97
    tetrachloroethylene 942.29
    eugenol 493.7
    triacetin 611.73
    span 80 509.33
    1,4-butanediol 114.52
    1,1-dichloroethane 1127.85
    2-methyl-1-pentanol 210.98
    methyl formate 514.7
    2-methyl-1-butanol 252.63
    n-decane 153.24
    butyronitrile 573.9
    3,7-dimethyl-1-octanol 352.11
    1-chlorooctane 384.02
    1-chlorotetradecane 207.76
    n-nonane 163.28
    undecane 119.86
    tert-butylcyclohexane 165.18
    cyclooctane 248.89
    cyclopentanol 632.0
    tetrahydropyran 1712.85
    tert-amyl methyl ether 519.85
    2,5,8-trioxanonane 888.27
    1-hexene 326.72
    2-isopropoxyethanol 323.97
    2,2,2-trifluoroethanol 140.58
    methyl butyrate 682.2

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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
Scallion (Cuba) Allium fistulosum L., fam. Liliaceae 1.1%