Methyl propyl tetrasulphide

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  • Identifiers

    CAS number
    87148-08-1

    Molecular formula
    C4H10S4

    SMILES
    CCCSSSSC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Sulfurous 86.86%
    Onion 86.01%
    Garlic 80.72%
    Alliaceous 71.35%
    Savory 56.42%
    Cooked 55.32%
    Roasted 50.29%
    Pungent 48.4%
    Meaty 42.15%
    Vegetable 39.83%

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  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    186.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    281°C

    Flash point est.
    131.55 ˚C

  • Synonyms

    • Methyl propyl tetrasulfide
    • Methyl propyl tetrasulphide
    • 87148-08-1
    • EINECS 289-302-3
    • DTXSID10236151
    • 1-(methyltetrasulfanyl)propane
    • DTXCID10158642
    • NS00124749
    • 289-302-3

  • Applications

    Methyl propyl tetrasulfide (CAS 87148-08-1) is used chiefly as a flavor ingredient imparting intense onion/garlic notes to seasonings, soups, snacks, sauces, and other savory foods at trace levels; as an analytical reference/standard in GC-MS for Allium markers and method validation, and as a model compound to study aroma release, thermal transformations, and interactions with proteins/lipids; as a sulfur-containing building block to access other polysulfides via S–S exchange or chain scission; as a sulfur probe to examine adsorption/poisoning on metal, catalytic, or sensor surfaces and to evaluate deodorizing materials; and for packaging barrier tests and sensory panel training because of its very low odor threshold.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 622.66
    methanol 478.26
    isopropanol 601.4
    water 0.23
    ethyl acetate 1588.52
    n-propanol 582.73
    acetone 3776.01
    n-butanol 663.17
    acetonitrile 1454.03
    DMF 5162.37
    toluene 2365.56
    isobutanol 532.9
    1,4-dioxane 3685.29
    methyl acetate 1553.35
    THF 5706.97
    2-butanone 2186.83
    n-pentanol 479.53
    sec-butanol 560.58
    n-hexane 252.41
    ethylene glycol 164.22
    NMP 4755.12
    cyclohexane 1122.6
    DMSO 4637.3
    n-butyl acetate 1830.59
    n-octanol 475.2
    chloroform 3901.85
    n-propyl acetate 1126.77
    acetic acid 1007.42
    dichloromethane 3518.43
    cyclohexanone 5426.98
    propylene glycol 244.05
    isopropyl acetate 1090.54
    DMAc 2914.09
    2-ethoxyethanol 752.8
    isopentanol 591.88
    n-heptane 410.27
    ethyl formate 1108.0
    1,2-dichloroethane 2616.06
    n-hexanol 697.59
    2-methoxyethanol 1366.29
    isobutyl acetate 770.76
    tetrachloromethane 942.49
    n-pentyl acetate 1044.11
    transcutol 2386.81
    n-heptanol 377.43
    ethylbenzene 799.06
    MIBK 1193.38
    2-propoxyethanol 1139.31
    tert-butanol 898.26
    MTBE 1260.15
    2-butoxyethanol 667.33
    propionic acid 666.58
    o-xylene 1135.99
    formic acid 170.03
    diethyl ether 1280.6
    m-xylene 1272.74
    p-xylene 1077.95
    chlorobenzene 2581.93
    dimethyl carbonate 847.4
    n-octane 173.56
    formamide 396.95
    cyclopentanone 5841.82
    2-pentanone 2051.79
    anisole 1544.96
    cyclopentyl methyl ether 2651.44
    gamma-butyrolactone 4370.24
    1-methoxy-2-propanol 1050.8
    pyridine 4306.78
    3-pentanone 1609.09
    furfural 4516.61
    n-dodecane 128.42
    diethylene glycol 724.69
    diisopropyl ether 539.02
    tert-amyl alcohol 699.03
    acetylacetone 3041.06
    n-hexadecane 153.91
    acetophenone 1580.35
    methyl propionate 1330.77
    isopentyl acetate 1484.3
    trichloroethylene 5466.41
    n-nonanol 436.84
    cyclohexanol 1369.84
    benzyl alcohol 945.71
    2-ethylhexanol 628.62
    isooctanol 333.2
    dipropyl ether 1166.04
    1,2-dichlorobenzene 2133.29
    ethyl lactate 426.49
    propylene carbonate 2219.9
    n-methylformamide 1324.16
    2-pentanol 525.71
    n-pentane 270.63
    1-propoxy-2-propanol 1074.34
    1-methoxy-2-propyl acetate 1592.17
    2-(2-methoxypropoxy) propanol 741.38
    mesitylene 854.42
    ε-caprolactone 3007.21
    p-cymene 648.97
    epichlorohydrin 3711.04
    1,1,1-trichloroethane 3179.87
    2-aminoethanol 277.58
    morpholine-4-carbaldehyde 4147.22
    sulfolane 5706.2
    2,2,4-trimethylpentane 146.74
    2-methyltetrahydrofuran 3427.02
    n-hexyl acetate 1290.39
    isooctane 149.41
    2-(2-butoxyethoxy)ethanol 1009.06
    sec-butyl acetate 751.74
    tert-butyl acetate 1483.96
    decalin 360.69
    glycerin 354.49
    diglyme 2335.34
    acrylic acid 726.88
    isopropyl myristate 614.28
    n-butyric acid 1156.64
    acetyl acetate 1310.29
    di(2-ethylhexyl) phthalate 501.14
    ethyl propionate 919.62
    nitromethane 2633.56
    1,2-diethoxyethane 1619.24
    benzonitrile 2148.69
    trioctyl phosphate 394.44
    1-bromopropane 1478.18
    gamma-valerolactone 6115.66
    n-decanol 347.61
    triethyl phosphate 591.29
    4-methyl-2-pentanol 339.65
    propionitrile 1029.02
    vinylene carbonate 2196.46
    1,1,2-trichlorotrifluoroethane 2107.27
    DMS 1102.95
    cumene 457.54
    2-octanol 337.8
    2-hexanone 1302.31
    octyl acetate 707.16
    limonene 1148.03
    1,2-dimethoxyethane 2325.98
    ethyl orthosilicate 587.19
    tributyl phosphate 527.56
    diacetone alcohol 1234.32
    N,N-dimethylaniline 1028.63
    acrylonitrile 1458.83
    aniline 1647.49
    1,3-propanediol 504.6
    bromobenzene 3197.57
    dibromomethane 2391.92
    1,1,2,2-tetrachloroethane 3831.48
    2-methyl-cyclohexyl acetate 1045.48
    tetrabutyl urea 807.72
    diisobutyl methanol 505.34
    2-phenylethanol 995.64
    styrene 1223.81
    dioctyl adipate 828.87
    dimethyl sulfate 1439.86
    ethyl butyrate 1231.14
    methyl lactate 569.27
    butyl lactate 695.16
    diethyl carbonate 807.92
    propanediol butyl ether 675.25
    triethyl orthoformate 931.24
    p-tert-butyltoluene 692.36
    methyl 4-tert-butylbenzoate 1058.89
    morpholine 3360.52
    tert-butylamine 588.28
    n-dodecanol 295.66
    dimethoxymethane 2190.64
    ethylene carbonate 1815.63
    cyrene 1010.38
    2-ethoxyethyl acetate 1329.01
    2-ethylhexyl acetate 1342.02
    1,2,4-trichlorobenzene 2326.61
    4-methylpyridine 4359.41
    dibutyl ether 1057.14
    2,6-dimethyl-4-heptanol 505.34
    DEF 2187.38
    dimethyl isosorbide 1980.41
    tetrachloroethylene 2333.31
    eugenol 896.2
    triacetin 1153.93
    span 80 872.99
    1,4-butanediol 245.66
    1,1-dichloroethane 2386.34
    2-methyl-1-pentanol 433.35
    methyl formate 1296.05
    2-methyl-1-butanol 543.71
    n-decane 203.15
    butyronitrile 1377.71
    3,7-dimethyl-1-octanol 543.72
    1-chlorooctane 612.18
    1-chlorotetradecane 295.18
    n-nonane 215.27
    undecane 155.72
    tert-butylcyclohexane 268.55
    cyclooctane 435.59
    cyclopentanol 1333.27
    tetrahydropyran 3671.68
    tert-amyl methyl ether 965.64
    2,5,8-trioxanonane 1552.72
    1-hexene 620.83
    2-isopropoxyethanol 580.27
    2,2,2-trifluoroethanol 371.97
    methyl butyrate 1366.39

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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
Onion, welsh 8002-72-0 Allium fistulosum L. var. Maichuon, fam. Liliaceae 0.15%
Scallion Allium fistulosum L. var. Caespitosum, fam. Liliaceae 0.27%