Allyl methyl trisulfide

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  • Identifiers

    CAS number
    34135-85-8

    Molecular formula
    C4H8S3

    SMILES
    CSSSCC=C

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1135.0
    • Carbowax: 1598.0

  • Odor profile

    Fragrance
    Onion 89.5%
    Garlic 86.13%
    Sulfurous 85.63%
    Alliaceous 73.76%
    Savory 55.78%
    Roasted 54.65%
    Cooked 53.77%
    Pungent 53.09%
    Cabbage 36.67%
    Meaty 36.03%

     

    Flavor
    Onion 83.44%
    Garlic 80.93%
    Alliaceous 60.08%
    Green 54.25%
    Sulfurous 50.71%
    Metallic 47.67%
    Cabbage 38.94%
    Cooked 36.34%
    Horseradish 34.55%
    Radish 31.65%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    3.76 (weak acid)

    Molecular weight
    152.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • < 25 °C

    Boiling point

    • 47.00 °C. @ 0.80 mm Hg

    Flash point

    • 81.73 ˚C est.

    Solubility expt.

    • slightly

  • Synonyms

    • ALLYL METHYL TRISULFIDE
    • 34135-85-8
    • Trisulfide, methyl 2-propenyl
    • Methyl allyl trisulfide
    • Allyl methyl trisulphide
    • 3-(methyltrisulfanyl)prop-1-ene
    • Methyl 2-propenyl trisulfide
    • Methylallyl trisulfide
    • Trisulfide, allyl methyl
    • 1-Allyl-3-methyltrisulfane
    • FEMA No. 3253
    • CCRIS 3265
    • Methyl allyl trisulphide
    • EINECS 251-843-8
    • UNII-983O8ZL28A
    • 4,5,6-Trithia-1-heptene
    • DTXSID30187717
    • 983O8ZL28A
    • METHYL ALLYL TRISULFIDE [MI]
    • ALLYL METHYL TRISULFIDE [FHFI]
    • 1-methyl-3-(prop-2-en-1-yl)trisulfane
    • Methylallyltrisulfide
    • Trisulfide methyl 2-propenyl
    • Methyl 2-propenyl trisulphide
    • SCHEMBL534079
    • 3-(methyltrisulfanyl)-1-propene
    • DTXCID90110208
    • 1-Methyl-3-(prop-2-en-1-yl)trisulphane
    • DB-003719
    • HY-134900
    • CS-0163777
    • NS00054914
    • A822088
    • Q27272080

  • Applications

    Allyl methyl trisulfide, CAS 34135-85-8, is typically considered a volatile sulfur aroma compound and may serve as an odorant or fragrance ingredient in perfumery, as well as to impart garlic-like notes in flavor applications. It may also be evaluated for cosmetic and personal care use as a fragrance component, and in household products and cleaners as a scent additive. In industrial manufacturing, it can function as a reactive intermediate to access other sulfur-containing specialty chemicals. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 161.81
    methanol 117.49
    isopropanol 146.86
    water 0.14
    ethyl acetate 444.44
    n-propanol 149.78
    acetone 718.18
    n-butanol 167.29
    acetonitrile 291.13
    DMF 1017.48
    toluene 553.0
    isobutanol 131.72
    1,4-dioxane 1002.57
    methyl acetate 404.82
    THF 1497.85
    2-butanone 567.43
    n-pentanol 141.09
    sec-butanol 152.2
    n-hexane 67.93
    ethylene glycol 39.91
    NMP 978.34
    cyclohexane 274.57
    DMSO 908.48
    n-butyl acetate 652.36
    n-octanol 183.63
    chloroform 762.44
    n-propyl acetate 336.78
    acetic acid 188.24
    dichloromethane 767.76
    cyclohexanone 1173.65
    propylene glycol 59.49
    isopropyl acetate 296.98
    DMAc 695.73
    2-ethoxyethanol 240.06
    isopentanol 149.27
    n-heptane 199.73
    ethyl formate 257.94
    1,2-dichloroethane 504.86
    n-hexanol 267.64
    2-methoxyethanol 338.51
    isobutyl acetate 233.54
    tetrachloromethane 190.66
    n-pentyl acetate 336.81
    transcutol 896.05
    n-heptanol 135.56
    ethylbenzene 235.25
    MIBK 327.51
    2-propoxyethanol 436.28
    tert-butanol 225.78
    MTBE 315.68
    2-butoxyethanol 229.14
    propionic acid 166.61
    o-xylene 339.5
    formic acid 29.82
    diethyl ether 386.4
    m-xylene 360.71
    p-xylene 287.37
    chlorobenzene 516.94
    dimethyl carbonate 182.64
    n-octane 71.66
    formamide 72.56
    cyclopentanone 1259.52
    2-pentanone 526.44
    anisole 453.63
    cyclopentyl methyl ether 720.04
    gamma-butyrolactone 901.92
    1-methoxy-2-propanol 293.59
    pyridine 827.53
    3-pentanone 449.56
    furfural 883.91
    n-dodecane 58.22
    diethylene glycol 251.74
    diisopropyl ether 180.26
    tert-amyl alcohol 192.45
    acetylacetone 686.48
    n-hexadecane 68.4
    acetophenone 446.63
    methyl propionate 354.92
    isopentyl acetate 487.28
    trichloroethylene 979.37
    n-nonanol 177.49
    cyclohexanol 348.53
    benzyl alcohol 274.17
    2-ethylhexanol 251.28
    isooctanol 124.19
    dipropyl ether 522.16
    1,2-dichlorobenzene 479.02
    ethyl lactate 142.91
    propylene carbonate 486.39
    n-methylformamide 251.2
    2-pentanol 144.46
    n-pentane 73.44
    1-propoxy-2-propanol 432.51
    1-methoxy-2-propyl acetate 538.53
    2-(2-methoxypropoxy) propanol 315.11
    mesitylene 266.48
    ε-caprolactone 745.8
    p-cymene 274.47
    epichlorohydrin 824.64
    1,1,1-trichloroethane 664.66
    2-aminoethanol 66.03
    morpholine-4-carbaldehyde 1048.1
    sulfolane 1113.61
    2,2,4-trimethylpentane 44.48
    2-methyltetrahydrofuran 961.3
    n-hexyl acetate 411.79
    isooctane 44.46
    2-(2-butoxyethoxy)ethanol 389.8
    sec-butyl acetate 250.04
    tert-butyl acetate 390.64
    decalin 114.91
    glycerin 86.88
    diglyme 771.81
    acrylic acid 152.89
    isopropyl myristate 245.78
    n-butyric acid 259.03
    acetyl acetate 311.08
    di(2-ethylhexyl) phthalate 188.03
    ethyl propionate 291.95
    nitromethane 458.04
    1,2-diethoxyethane 626.96
    benzonitrile 469.44
    trioctyl phosphate 150.78
    1-bromopropane 337.87
    gamma-valerolactone 1260.08
    n-decanol 149.44
    triethyl phosphate 218.06
    4-methyl-2-pentanol 99.78
    propionitrile 252.94
    vinylene carbonate 453.42
    1,1,2-trichlorotrifluoroethane 448.57
    DMS 336.89
    cumene 168.55
    2-octanol 124.89
    2-hexanone 400.26
    octyl acetate 264.49
    limonene 450.72
    1,2-dimethoxyethane 650.43
    ethyl orthosilicate 220.61
    tributyl phosphate 187.17
    diacetone alcohol 359.55
    N,N-dimethylaniline 318.46
    acrylonitrile 306.77
    aniline 341.29
    1,3-propanediol 116.61
    bromobenzene 641.62
    dibromomethane 524.0
    1,1,2,2-tetrachloroethane 710.3
    2-methyl-cyclohexyl acetate 397.46
    tetrabutyl urea 297.96
    diisobutyl methanol 208.51
    2-phenylethanol 353.16
    styrene 316.05
    dioctyl adipate 303.89
    dimethyl sulfate 312.49
    ethyl butyrate 490.62
    methyl lactate 157.21
    butyl lactate 225.12
    diethyl carbonate 286.67
    propanediol butyl ether 226.47
    triethyl orthoformate 346.42
    p-tert-butyltoluene 279.77
    methyl 4-tert-butylbenzoate 352.47
    morpholine 866.07
    tert-butylamine 153.35
    n-dodecanol 132.35
    dimethoxymethane 545.29
    ethylene carbonate 384.49
    cyrene 368.52
    2-ethoxyethyl acetate 425.69
    2-ethylhexyl acetate 459.5
    1,2,4-trichlorobenzene 539.7
    4-methylpyridine 810.28
    dibutyl ether 397.04
    2,6-dimethyl-4-heptanol 208.51
    DEF 561.02
    dimethyl isosorbide 726.81
    tetrachloroethylene 444.42
    eugenol 308.57
    triacetin 386.87
    span 80 336.31
    1,4-butanediol 65.69
    1,1-dichloroethane 507.55
    2-methyl-1-pentanol 131.25
    methyl formate 242.73
    2-methyl-1-butanol 139.33
    n-decane 86.69
    butyronitrile 301.31
    3,7-dimethyl-1-octanol 217.06
    1-chlorooctane 219.44
    1-chlorotetradecane 121.87
    n-nonane 89.19
    undecane 68.94
    tert-butylcyclohexane 92.95
    cyclooctane 127.94
    cyclopentanol 339.48
    tetrahydropyran 980.68
    tert-amyl methyl ether 286.82
    2,5,8-trioxanonane 608.55
    1-hexene 173.72
    2-isopropoxyethanol 209.8
    2,2,2-trifluoroethanol 69.59
    methyl butyrate 388.78

    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
Garlic 1 8008-99-9 Allium sativum L., fam. Liliaceae 9.29%
Garlic 2 8008-99-9 Allium sativum L., fam. Liliaceae 21.7%
Garlic (China) Allium sativum L., fam. Liliaceae 0.4%
Allium macrochatum (Turkey) Allium macrochaetum Boiss. et Hausskn., fam. Liliaceae 5.89%
Nira (Brazil) Allium tuberosum Rottl., fam. Liliaceae 9.4%
Adenocalymma alliaceum (Brazil) 1a leaf Adenocalymma alliaceum Miers, fam. Bignoniaceae 0.3%
Adenocalymma alliaceum (Brazil) 1b flower Adenocalymma alliaceum Miers, fam. Bignoniaceae 0.2%