Allyl methyl tetrasulfide

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  • Identifiers

    CAS number
    90195-83-8

    Molecular formula
    C4H8S4

    SMILES
    CSSSSCC=C

  • Odor profile

    Onion 89.3%
    Sulfurous 87.11%
    Garlic 85.89%
    Alliaceous 72.72%
    Roasted 60.2%
    Savory 58.34%
    Cooked 55.58%
    Pungent 52.99%
    Meaty 38.96%
    Cabbage 33.74%

    Scent© AI

  • Properties

    XLogP3-AA
    2.4

    Molecular weight
    184.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Melting point expt.

    • 23.00 °C. @ 760.00 mm Hg

    Boiling point

    • 267.00 °C. @ 760.00 mm Hg

    Flash point est.
    121.64 ˚C

  • Synonyms

    • allyl methyl tetrasulfide
    • 3-(methyltetrasulfanyl)prop-1-ene
    • 90195-83-8
    • Methyl 2-propenyl tetrasulfide
    • 1-methyl-4-(prop-2-en-1-yl)tetrasulfane
    • DTXSID10335471
    • Methyl 2-propenyl tetrasulphide
    • SCHEMBL2931131
    • DTXCID60286560
    • 3-(methyltetrasulanyl)prop-1-ene
    • CHEBI:184594
    • 1-Methyl-4-(prop-2-en-1-yl)tetrasulphane
    • NS00120393

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 247.92
    methanol 182.31
    isopropanol 249.46
    water 0.15
    ethyl acetate 802.29
    n-propanol 252.57
    acetone 1618.29
    n-butanol 299.49
    acetonitrile 592.47
    DMF 2206.59
    toluene 1362.19
    isobutanol 241.11
    1,4-dioxane 1877.31
    methyl acetate 796.22
    THF 2841.98
    2-butanone 1117.28
    n-pentanol 240.7
    sec-butanol 259.03
    n-hexane 151.54
    ethylene glycol 73.9
    NMP 2443.59
    cyclohexane 580.93
    DMSO 1989.42
    n-butyl acetate 963.11
    n-octanol 280.47
    chloroform 1721.97
    n-propyl acetate 612.49
    acetic acid 398.69
    dichloromethane 1540.45
    cyclohexanone 2556.92
    propylene glycol 115.56
    isopropyl acetate 596.21
    DMAc 1587.36
    2-ethoxyethanol 427.86
    isopentanol 286.98
    n-heptane 244.07
    ethyl formate 504.68
    1,2-dichloroethane 1176.57
    n-hexanol 377.96
    2-methoxyethanol 653.6
    isobutyl acetate 454.95
    tetrachloromethane 433.95
    n-pentyl acetate 588.09
    transcutol 1592.04
    n-heptanol 213.55
    ethylbenzene 518.87
    MIBK 687.94
    2-propoxyethanol 665.33
    tert-butanol 415.0
    MTBE 728.42
    2-butoxyethanol 389.45
    propionic acid 304.22
    o-xylene 751.57
    formic acid 68.54
    diethyl ether 686.26
    m-xylene 823.84
    p-xylene 642.19
    chlorobenzene 1334.63
    dimethyl carbonate 476.3
    n-octane 108.96
    formamide 160.78
    cyclopentanone 2803.3
    2-pentanone 1028.83
    anisole 1022.33
    cyclopentyl methyl ether 1557.94
    gamma-butyrolactone 2024.64
    1-methoxy-2-propanol 538.4
    pyridine 1937.65
    3-pentanone 879.8
    furfural 2120.52
    n-dodecane 86.0
    diethylene glycol 417.51
    diisopropyl ether 349.75
    tert-amyl alcohol 375.88
    acetylacetone 1549.79
    n-hexadecane 101.79
    acetophenone 1000.2
    methyl propionate 702.19
    isopentyl acetate 818.73
    trichloroethylene 2504.61
    n-nonanol 268.99
    cyclohexanol 683.9
    benzyl alcohol 565.1
    2-ethylhexanol 383.4
    isooctanol 198.67
    dipropyl ether 650.36
    1,2-dichlorobenzene 1172.2
    ethyl lactate 242.33
    propylene carbonate 1072.08
    n-methylformamide 529.68
    2-pentanol 253.82
    n-pentane 152.65
    1-propoxy-2-propanol 624.43
    1-methoxy-2-propyl acetate 920.38
    2-(2-methoxypropoxy) propanol 509.67
    mesitylene 583.96
    ε-caprolactone 1551.56
    p-cymene 433.45
    epichlorohydrin 1903.34
    1,1,1-trichloroethane 1488.32
    2-aminoethanol 121.71
    morpholine-4-carbaldehyde 2237.35
    sulfolane 2773.61
    2,2,4-trimethylpentane 107.67
    2-methyltetrahydrofuran 1788.07
    n-hexyl acetate 748.76
    isooctane 110.03
    2-(2-butoxyethoxy)ethanol 651.62
    sec-butyl acetate 460.31
    tert-butyl acetate 893.02
    decalin 250.14
    glycerin 177.98
    diglyme 1396.92
    acrylic acid 320.22
    isopropyl myristate 388.58
    n-butyric acid 496.8
    acetyl acetate 680.52
    di(2-ethylhexyl) phthalate 319.81
    ethyl propionate 522.17
    nitromethane 1131.08
    1,2-diethoxyethane 1022.73
    benzonitrile 1092.39
    trioctyl phosphate 237.93
    1-bromopropane 705.47
    gamma-valerolactone 3005.67
    n-decanol 223.93
    triethyl phosphate 355.81
    4-methyl-2-pentanol 195.81
    propionitrile 456.74
    vinylene carbonate 1038.16
    1,1,2-trichlorotrifluoroethane 1112.53
    DMS 699.03
    cumene 328.33
    2-octanol 198.2
    2-hexanone 734.37
    octyl acetate 425.23
    limonene 706.74
    1,2-dimethoxyethane 1216.67
    ethyl orthosilicate 358.36
    tributyl phosphate 313.36
    diacetone alcohol 721.68
    N,N-dimethylaniline 701.23
    acrylonitrile 624.25
    aniline 845.59
    1,3-propanediol 219.1
    bromobenzene 1618.58
    dibromomethane 1074.11
    1,1,2,2-tetrachloroethane 1793.54
    2-methyl-cyclohexyl acetate 643.85
    tetrabutyl urea 488.47
    diisobutyl methanol 310.22
    2-phenylethanol 620.93
    styrene 756.72
    dioctyl adipate 510.31
    dimethyl sulfate 872.98
    ethyl butyrate 697.81
    methyl lactate 326.56
    butyl lactate 400.1
    diethyl carbonate 453.26
    propanediol butyl ether 410.82
    triethyl orthoformate 544.5
    p-tert-butyltoluene 466.97
    methyl 4-tert-butylbenzoate 680.8
    morpholine 1656.63
    tert-butylamine 281.42
    n-dodecanol 196.03
    dimethoxymethane 1110.76
    ethylene carbonate 831.3
    cyrene 678.3
    2-ethoxyethyl acetate 824.32
    2-ethylhexyl acetate 759.1
    1,2,4-trichlorobenzene 1324.46
    4-methylpyridine 2068.91
    dibutyl ether 619.39
    2,6-dimethyl-4-heptanol 310.22
    DEF 1148.39
    dimethyl isosorbide 1281.62
    tetrachloroethylene 1111.33
    eugenol 593.19
    triacetin 739.54
    span 80 548.45
    1,4-butanediol 122.39
    1,1-dichloroethane 1074.42
    2-methyl-1-pentanol 244.41
    methyl formate 565.78
    2-methyl-1-butanol 267.81
    n-decane 130.89
    butyronitrile 575.43
    3,7-dimethyl-1-octanol 345.68
    1-chlorooctane 360.94
    1-chlorotetradecane 193.3
    n-nonane 136.86
    undecane 102.53
    tert-butylcyclohexane 197.42
    cyclooctane 276.17
    cyclopentanol 631.76
    tetrahydropyran 1775.23
    tert-amyl methyl ether 635.66
    2,5,8-trioxanonane 970.76
    1-hexene 330.19
    2-isopropoxyethanol 362.19
    2,2,2-trifluoroethanol 175.09
    methyl butyrate 730.51

    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 (China) Allium sativum L., fam. Liliaceae 1.35%