Methyl propyl trisulfide

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  • Identifiers

    CAS number
    17619-36-2

    Molecular formula
    C4H10S3

    SMILES
    CCCSSSC

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1494.0

  • Odor profile

    Sulfurous 86.73%
    Onion 85.41%
    Garlic 80.06%
    Alliaceous 74.42%
    Green 57.79%
    Savory 55.59%
    Vegetable 54.61%
    Cooked 53.63%
    Pungent 45.88%
    Roasted 45.38%

    Scent© AI

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    2.97 (strong acid)

    Molecular weight
    154.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    218°C

    Flash point est.
    81.75 ˚C

  • Synonyms

    • Methyl propyl trisulfide
    • 17619-36-2
    • Trisulfide, methyl propyl
    • Methyl propyl trisulphide
    • Propyl methyl trisulfide
    • 1-(methyltrisulfanyl)propane
    • FEMA No. 3308
    • UNII-ON3O10BZAN
    • ON3O10BZAN
    • CCRIS 3267
    • EINECS 241-594-3
    • Methylpropyl trisulphide
    • 2,3,4-Trithiaheptane
    • DTXSID7066225
    • FEMA 3308
    • 1-METHYL-3-PROPYLTRISULFANE
    • METHYL PROPYL TRISULFIDE [FHFI]
    • Methylpropyltrisulfide
    • 1-(methyltrisulanyl)propane
    • 1-Methyl-3-propyltrisulphane
    • SCHEMBL3506438
    • DTXCID6035605
    • CHEBI:173654
    • Methyl propyl trisulfide, 50%, FG
    • NSC800738
    • AKOS006282484
    • NSC-800738
    • DB-003726
    • NS00021757
    • Q27285743

  • Applications

    Methyl propyl trisulfide (CAS 17619-36-2) is a trisulfide-bearing organosulfur compound naturally occurring in onion, garlic and other Allium species, employed as a flavour ingredient to recreate the characteristic onion-garlic note in soups, sauces, snacks, dry seasonings, processed meats and vegetarian foods; in fragrance formulation it adds pungent sulfurous depth to condiments, ketchups, buttery onion and savoury oil accords; in biochemical research it serves as an aroma marker, a model for polysulfide oxidation, a GC/MS standard for quantifying natural sulfur compounds, a probe for plant biosynthetic studies and an odorant for sensor calibration; it is also explored in veterinary preparations and biopesticides for its antimicrobial activity and is occasionally incorporated as an auxiliary warning odorant in gas-leak detection systems to enhance industrial safety.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 389.82
    methanol 283.75
    isopropanol 361.55
    water 0.16
    ethyl acetate 919.4
    n-propanol 354.96
    acetone 1795.39
    n-butanol 390.65
    acetonitrile 705.55
    DMF 2256.12
    toluene 1111.87
    isobutanol 303.37
    1,4-dioxane 2012.7
    methyl acetate 831.06
    THF 3338.99
    2-butanone 1235.23
    n-pentanol 273.82
    sec-butanol 339.03
    n-hexane 138.5
    ethylene glycol 84.7
    NMP 2175.67
    cyclohexane 626.28
    DMSO 2217.7
    n-butyl acetate 1399.34
    n-octanol 320.43
    chloroform 1985.7
    n-propyl acetate 648.44
    acetic acid 498.68
    dichloromethane 2001.61
    cyclohexanone 2948.52
    propylene glycol 129.58
    isopropyl acetate 592.58
    DMAc 1321.96
    2-ethoxyethanol 407.15
    isopentanol 321.57
    n-heptane 388.44
    ethyl formate 596.6
    1,2-dichloroethane 1279.0
    n-hexanol 519.27
    2-methoxyethanol 701.98
    isobutyl acetate 435.43
    tetrachloromethane 499.16
    n-pentyl acetate 665.59
    transcutol 1331.6
    n-heptanol 255.88
    ethylbenzene 410.22
    MIBK 616.49
    2-propoxyethanol 764.22
    tert-butanol 526.47
    MTBE 640.91
    2-butoxyethanol 400.82
    propionic acid 394.02
    o-xylene 578.53
    formic acid 68.0
    diethyl ether 773.58
    m-xylene 639.17
    p-xylene 530.27
    chlorobenzene 1211.7
    dimethyl carbonate 359.15
    n-octane 132.56
    formamide 154.23
    cyclopentanone 3035.3
    2-pentanone 1145.41
    anisole 741.29
    cyclopentyl methyl ether 1422.35
    gamma-butyrolactone 2203.86
    1-methoxy-2-propanol 569.98
    pyridine 1961.68
    3-pentanone 916.46
    furfural 2016.17
    n-dodecane 95.69
    diethylene glycol 448.04
    diisopropyl ether 323.32
    tert-amyl alcohol 391.4
    acetylacetone 1448.77
    n-hexadecane 113.2
    acetophenone 757.54
    methyl propionate 688.87
    isopentyl acetate 1002.44
    trichloroethylene 2453.82
    n-nonanol 293.55
    cyclohexanol 796.28
    benzyl alcohol 470.93
    2-ethylhexanol 458.31
    isooctanol 217.48
    dipropyl ether 984.81
    1,2-dichlorobenzene 1054.32
    ethyl lactate 254.81
    propylene carbonate 1166.49
    n-methylformamide 581.34
    2-pentanol 298.18
    n-pentane 161.09
    1-propoxy-2-propanol 755.15
    1-methoxy-2-propyl acetate 970.6
    2-(2-methoxypropoxy) propanol 450.71
    mesitylene 455.29
    ε-caprolactone 1713.99
    p-cymene 459.27
    epichlorohydrin 1769.4
    1,1,1-trichloroethane 1584.08
    2-aminoethanol 150.58
    morpholine-4-carbaldehyde 2041.75
    sulfolane 2615.1
    2,2,4-trimethylpentane 75.16
    2-methyltetrahydrofuran 2025.0
    n-hexyl acetate 780.46
    isooctane 75.19
    2-(2-butoxyethoxy)ethanol 591.2
    sec-butyl acetate 437.02
    tert-butyl acetate 729.41
    decalin 198.07
    glycerin 178.1
    diglyme 1320.26
    acrylic acid 373.87
    isopropyl myristate 417.6
    n-butyric acid 643.7
    acetyl acetate 638.64
    di(2-ethylhexyl) phthalate 305.09
    ethyl propionate 528.89
    nitromethane 1131.41
    1,2-diethoxyethane 1031.33
    benzonitrile 1011.45
    trioctyl phosphate 259.97
    1-bromopropane 819.77
    gamma-valerolactone 2901.49
    n-decanol 236.42
    triethyl phosphate 382.18
    4-methyl-2-pentanol 181.34
    propionitrile 596.63
    vinylene carbonate 1096.2
    1,1,2-trichlorotrifluoroethane 942.16
    DMS 588.03
    cumene 255.07
    2-octanol 230.63
    2-hexanone 766.44
    octyl acetate 451.3
    limonene 807.58
    1,2-dimethoxyethane 1183.23
    ethyl orthosilicate 366.94
    tributyl phosphate 339.45
    diacetone alcohol 654.74
    N,N-dimethylaniline 496.8
    acrylonitrile 777.06
    aniline 726.97
    1,3-propanediol 269.24
    bromobenzene 1490.21
    dibromomethane 1366.51
    1,1,2,2-tetrachloroethane 1713.79
    2-methyl-cyclohexyl acetate 699.36
    tetrabutyl urea 531.02
    diisobutyl methanol 367.27
    2-phenylethanol 589.94
    styrene 586.7
    dioctyl adipate 518.85
    dimethyl sulfate 592.08
    ethyl butyrate 935.49
    methyl lactate 291.65
    butyl lactate 428.52
    diethyl carbonate 541.07
    propanediol butyl ether 395.45
    triethyl orthoformate 623.45
    p-tert-butyltoluene 465.84
    methyl 4-tert-butylbenzoate 574.17
    morpholine 1827.84
    tert-butylamine 343.85
    n-dodecanol 207.52
    dimethoxymethane 1043.4
    ethylene carbonate 911.0
    cyrene 561.22
    2-ethoxyethyl acetate 757.08
    2-ethylhexyl acetate 892.31
    1,2,4-trichlorobenzene 1100.56
    4-methylpyridine 1869.66
    dibutyl ether 726.92
    2,6-dimethyl-4-heptanol 367.27
    DEF 1166.85
    dimethyl isosorbide 1162.05
    tetrachloroethylene 1086.0
    eugenol 494.52
    triacetin 654.84
    span 80 537.66
    1,4-butanediol 127.96
    1,1-dichloroethane 1270.68
    2-methyl-1-pentanol 237.19
    methyl formate 540.66
    2-methyl-1-butanol 293.1
    n-decane 155.19
    butyronitrile 766.92
    3,7-dimethyl-1-octanol 368.46
    1-chlorooctane 413.74
    1-chlorotetradecane 205.66
    n-nonane 167.08
    undecane 115.75
    tert-butylcyclohexane 149.96
    cyclooctane 248.29
    cyclopentanol 813.07
    tetrahydropyran 2179.61
    tert-amyl methyl ether 507.95
    2,5,8-trioxanonane 900.86
    1-hexene 366.54
    2-isopropoxyethanol 332.51
    2,2,2-trifluoroethanol 157.45
    methyl butyrate 761.26

    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 16.0%
Onion (shallot) 8002-72-0 Allium cepa L., Aggregatum g., fam. Liliaceae 12.5%
Onion, welsh 8002-72-0 Allium fistulosum L. var. Maichuon, fam. Liliaceae 12.97%
Scallion Allium fistulosum L. var. Caespitosum, fam. Liliaceae 12.75%
Nira (Brazil) Allium tuberosum Rottl., fam. Liliaceae 0.9%
Scallion (Cuba) Allium fistulosum L., fam. Liliaceae 12.0%
Asafoetida (Pakistan) 2 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.23%