Methyl propyl disulfide

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  • Identifiers

    CAS number
    2179-60-4

    Molecular formula
    C4H10S2

    SMILES
    CCCSSC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1236.0

  • Odor profile

    Sulfurous 87.58%
    Onion 83.1%
    Garlic 78.13%
    Alliaceous 77.61%
    Vegetable 67.94%
    Green 67.37%
    Savory 56.57%
    Cooked 50.8%
    Meaty 46.57%
    Cabbage 46.13%

    Scent© AI

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    5.31 (weak acid)

    Molecular weight
    122.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    154°C

    Flash point est.
    37.73 ˚C

    Solubility expt.

    • slightly soluble in water; soluble in ethyl alcohol and oil

  • Synonyms

    • Methyl propyl disulfide
    • 2179-60-4
    • 1-(Methyldisulfanyl)propane
    • Disulfide, methyl propyl
    • Methyldithiopropane
    • 2,3-Dithiahexane
    • Propyl methyl disulfide
    • Methyl propyl disulphide
    • Methylpropyldisulfide
    • Methyl n-propyl disulfide
    • FEMA No. 3201
    • 8M12K3FU0T
    • UNII-8M12K3FU0T
    • CCRIS 3268
    • DTXSID8062234
    • FEMA 3201
    • EINECS 218-551-2
    • METHYL PROPYL DISULFIDE [FHFI]
    • AI3-38157
    • MFCD00013400
    • 1-(Methyldisulphanyl)propane
    • SCHEMBL441902
    • 1-(Methyldisulfanyl)propane #
    • Methyl propyl disulfide, 90%
    • DTXCID0036550
    • CHEBI:89629
    • HY-N7436
    • AKOS015897368
    • Methyl propyl disulfide, >=95%, FG
    • LS-13015
    • DB-003725
    • CS-0128937
    • M1781
    • NS00021856
    • D91531
    • A815669
    • Q27161826

  • Applications

    Methyl propyl disulfide (CAS 2179-60-4) is an organosulfur compound with the characteristic onion-garlic odor that finds wide use in the flavor and fragrance industry to recreate natural notes of onion, garlic, leek and allied vegetables, acting as a seasoning enhancer for instant spices, packaged soups, meat products, snacks and sauces; it is also employed as an aroma marker in sensory studies, as a reference standard in GC-MS profiling of volatile sulfur compounds, and as a selective synthetic intermediate for more complex sulfides, polysulfides or thioesters in pharmaceutical, agrochemical and functional-material research, where it helps tailor deodorizing capacity, antimicrobial performance and oxidative stability of the final formulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 648.23
    methanol 480.0
    isopropanol 637.34
    water 0.25
    ethyl acetate 1370.82
    n-propanol 691.15
    acetone 2142.01
    n-butanol 754.29
    acetonitrile 1159.47
    DMF 1418.07
    toluene 1377.17
    isobutanol 541.34
    1,4-dioxane 2513.79
    methyl acetate 1066.45
    THF 3764.09
    2-butanone 1626.46
    n-pentanol 448.92
    sec-butanol 639.48
    n-hexane 337.43
    ethylene glycol 97.61
    NMP 1747.71
    cyclohexane 1025.53
    DMSO 2032.47
    n-butyl acetate 1965.92
    n-octanol 451.55
    chloroform 2922.32
    n-propyl acetate 803.93
    acetic acid 591.92
    dichloromethane 2458.91
    cyclohexanone 3397.93
    propylene glycol 180.82
    isopropyl acetate 870.6
    DMAc 974.53
    2-ethoxyethanol 556.88
    isopentanol 573.19
    n-heptane 685.65
    ethyl formate 746.43
    1,2-dichloroethane 1660.79
    n-hexanol 966.63
    2-methoxyethanol 905.92
    isobutyl acetate 535.09
    tetrachloromethane 933.01
    n-pentyl acetate 847.19
    transcutol 1829.72
    n-heptanol 429.22
    ethylbenzene 434.51
    MIBK 833.98
    2-propoxyethanol 1161.67
    tert-butanol 887.44
    MTBE 1085.84
    2-butoxyethanol 578.63
    propionic acid 614.32
    o-xylene 670.4
    formic acid 90.62
    diethyl ether 1472.33
    m-xylene 768.1
    p-xylene 566.41
    chlorobenzene 1459.11
    dimethyl carbonate 350.44
    n-octane 205.16
    formamide 153.46
    cyclopentanone 3234.16
    2-pentanone 1608.93
    anisole 770.96
    cyclopentyl methyl ether 2025.18
    gamma-butyrolactone 2397.53
    1-methoxy-2-propanol 831.91
    pyridine 2297.05
    3-pentanone 1211.63
    furfural 1980.86
    n-dodecane 117.63
    diethylene glycol 575.64
    diisopropyl ether 539.79
    tert-amyl alcohol 697.25
    acetylacetone 1491.5
    n-hexadecane 137.25
    acetophenone 704.86
    methyl propionate 887.81
    isopentyl acetate 1345.89
    trichloroethylene 2892.86
    n-nonanol 384.4
    cyclohexanol 1217.02
    benzyl alcohol 498.45
    2-ethylhexanol 762.34
    isooctanol 344.57
    dipropyl ether 1527.52
    1,2-dichlorobenzene 1164.39
    ethyl lactate 286.25
    propylene carbonate 1267.96
    n-methylformamide 551.96
    2-pentanol 591.83
    n-pentane 342.03
    1-propoxy-2-propanol 1166.67
    1-methoxy-2-propyl acetate 1159.01
    2-(2-methoxypropoxy) propanol 490.81
    mesitylene 529.75
    ε-caprolactone 2108.33
    p-cymene 503.21
    epichlorohydrin 2096.91
    1,1,1-trichloroethane 2268.79
    2-aminoethanol 201.93
    morpholine-4-carbaldehyde 1741.3
    sulfolane 2641.41
    2,2,4-trimethylpentane 154.34
    2-methyltetrahydrofuran 2752.06
    n-hexyl acetate 952.8
    isooctane 147.11
    2-(2-butoxyethoxy)ethanol 721.17
    sec-butyl acetate 542.87
    tert-butyl acetate 998.3
    decalin 273.36
    glycerin 235.45
    diglyme 1445.33
    acrylic acid 462.61
    isopropyl myristate 432.16
    n-butyric acid 1148.19
    acetyl acetate 813.33
    di(2-ethylhexyl) phthalate 286.42
    ethyl propionate 679.67
    nitromethane 1247.64
    1,2-diethoxyethane 1345.1
    benzonitrile 1103.47
    trioctyl phosphate 253.62
    1-bromopropane 1405.84
    gamma-valerolactone 2867.3
    n-decanol 290.37
    triethyl phosphate 393.85
    4-methyl-2-pentanol 327.07
    propionitrile 999.05
    vinylene carbonate 1148.38
    1,1,2-trichlorotrifluoroethane 1088.21
    DMS 576.99
    cumene 278.36
    2-octanol 357.02
    2-hexanone 936.25
    octyl acetate 488.43
    limonene 999.86
    1,2-dimethoxyethane 1318.47
    ethyl orthosilicate 398.65
    tributyl phosphate 319.77
    diacetone alcohol 833.53
    N,N-dimethylaniline 469.73
    acrylonitrile 1015.15
    aniline 958.74
    1,3-propanediol 410.98
    bromobenzene 1789.43
    dibromomethane 1907.08
    1,1,2,2-tetrachloroethane 2281.09
    2-methyl-cyclohexyl acetate 723.62
    tetrabutyl urea 464.21
    diisobutyl methanol 517.19
    2-phenylethanol 672.54
    styrene 650.59
    dioctyl adipate 490.88
    dimethyl sulfate 549.93
    ethyl butyrate 1220.57
    methyl lactate 358.41
    butyl lactate 494.71
    diethyl carbonate 615.85
    propanediol butyl ether 499.08
    triethyl orthoformate 717.29
    p-tert-butyltoluene 498.05
    methyl 4-tert-butylbenzoate 579.56
    morpholine 2373.48
    tert-butylamine 602.23
    n-dodecanol 243.79
    dimethoxymethane 1026.87
    ethylene carbonate 1040.28
    cyrene 503.08
    2-ethoxyethyl acetate 855.09
    2-ethylhexyl acetate 1189.1
    1,2,4-trichlorobenzene 1207.23
    4-methylpyridine 2112.52
    dibutyl ether 974.1
    2,6-dimethyl-4-heptanol 517.19
    DEF 1308.63
    dimethyl isosorbide 1096.49
    tetrachloroethylene 1508.63
    eugenol 494.41
    triacetin 684.76
    span 80 594.35
    1,4-butanediol 163.75
    1,1-dichloroethane 1889.1
    2-methyl-1-pentanol 372.89
    methyl formate 504.12
    2-methyl-1-butanol 541.37
    n-decane 207.33
    butyronitrile 1263.88
    3,7-dimethyl-1-octanol 481.09
    1-chlorooctane 560.2
    1-chlorotetradecane 233.86
    n-nonane 240.21
    undecane 146.95
    tert-butylcyclohexane 227.8
    cyclooctane 394.83
    cyclopentanol 1120.19
    tetrahydropyran 3228.32
    tert-amyl methyl ether 821.89
    2,5,8-trioxanonane 904.28
    1-hexene 706.91
    2-isopropoxyethanol 465.86
    2,2,2-trifluoroethanol 190.89
    methyl butyrate 925.77

    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 12.5%
Onion (shallot) 8002-72-0 Allium cepa L., Aggregatum g., fam. Liliaceae 3.8%
Onion, welsh 8002-72-0 Allium fistulosum L. var. Maichuon, fam. Liliaceae 2.76%
Scallion Allium fistulosum L. var. Caespitosum, fam. Liliaceae 1.41%
Nira (Brazil) Allium tuberosum Rottl., fam. Liliaceae 0.9%
Scallion (Cuba) Allium fistulosum L., fam. Liliaceae 3.1%