Allyl methyl disulfide

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  • Identifiers

    CAS number
    2179-58-0

    Molecular formula
    C4H8S2

    SMILES
    CSSCC=C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 919.0
    • Carbowax: 1287.0

  • Odor profile

    Onion 88.63%
    Garlic 85.23%
    Sulfurous 82.92%
    Alliaceous 73.42%
    Savory 51.15%
    Pungent 50.94%
    Cooked 49.7%
    Roasted 44.48%
    Cabbage 37.54%
    Radish 37.12%

    Scent© AI

  • Properties

    XLogP3-AA
    1.6

    Molecular weight
    120.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point

    • 30.00 to 33.00 °C. @ 20.00 mm Hg

    Flash point est.
    37.5 ˚C

    Solubility expt.

    • slightly

  • Synonyms

    • ALLYL METHYL DISULFIDE
    • Methyl allyl disulfide
    • 2179-58-0
    • 3-(methyldisulfanyl)prop-1-ene
    • Allyl methyl disulphide
    • Disulfide, methyl 2-propenyl
    • Methyl 2-propenyl disulfide
    • methylallyl disulphide
    • 4,5-dithia-1-hexene
    • 3-(Methyldisulfanyl)-1-propene
    • OXW45UTR7B
    • FEMA No. 3127
    • Disulfide, allyl methyl
    • 2-propenylmethyldisulfide
    • UNII-OXW45UTR7B
    • 3-(methyldithio)prop-1-ene
    • CCRIS 3266
    • CHEBI:6854
    • FEMA 3127
    • DTXSID60176199
    • EINECS 218-549-1
    • DISULFIDE, METHYL-2-PROPENYL
    • ALLYL METHYL DISULFIDE [FHFI]
    • METHYL ALLYL DISULPHIDE
    • Methylallyldisulfide
    • methylallyl disulfide
    • MFCD00040023
    • Methyl 2-propenyl disulphide
    • SCHEMBL548935
    • SCHEMBL9535067
    • DTXCID9098690
    • 3-(Methyldisulphanyl)-1-propene
    • 3-(Methyldisulfanyl)-1-propene #
    • AKOS006344179
    • BS-44089
    • DB-003718
    • A1939
    • CS-0204953
    • NS00021855
    • C08383
    • D88486
    • EN300-1610756
    • A815666
    • Q27107347

  • Applications

    Allyl methyl disulfide (AMDS, CAS 2179-58-0) is a characteristic Allium-like organosulfur compound used primarily as a flavor ingredient/modifier in foods (seasonings, sauces, soups, instant noodles, savory snacks, processed meats, and plant-based meat analogs) to impart or intensify onion, garlic, scallion, black garlic, pickled Allium, sautéed, roasted and umami notes at trace levels (ppb–ppm) owing to its very low odor threshold; in perfumery it provides realistic sulfury, savory gourmand and truffle nuances when blended with pyrazines/thiols; in analytics and sensory science it serves as a GC/MS reference, internal/external standard, and for panel training in Allium aroma reconstructions and studies of volatile sulfur contributions; in organic and materials synthesis it functions as a building block/source of allylthio or methylthio groups via disulfide exchange or reactions at the allyl double bond, enabling molecule functionalization and disulfide-containing polymer modification; it is also employed as an odor tracer for emissions from Allium processing and environmental odor control; use is typically within applicable flavor/fragrance regulations, with handling under odor-controlled conditions due to its strong smell and volatility.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 192.82
    methanol 137.85
    isopropanol 199.17
    water 0.34
    ethyl acetate 451.95
    n-propanol 210.35
    acetone 656.83
    n-butanol 235.81
    acetonitrile 306.31
    DMF 528.78
    toluene 529.08
    isobutanol 184.07
    1,4-dioxane 841.56
    methyl acetate 376.71
    THF 1243.76
    2-butanone 546.31
    n-pentanol 184.12
    sec-butanol 223.84
    n-hexane 133.1
    ethylene glycol 44.98
    NMP 660.6
    cyclohexane 341.36
    DMSO 624.44
    n-butyl acetate 578.44
    n-octanol 218.54
    chloroform 999.33
    n-propyl acetate 288.33
    acetic acid 196.81
    dichloromethane 731.87
    cyclohexanone 1018.25
    propylene glycol 82.21
    isopropyl acetate 319.92
    DMAc 457.72
    2-ethoxyethanol 257.44
    isopentanol 197.39
    n-heptane 263.43
    ethyl formate 218.06
    1,2-dichloroethane 482.27
    n-hexanol 390.44
    2-methoxyethanol 332.2
    isobutyl acetate 230.43
    tetrachloromethane 314.03
    n-pentyl acetate 305.01
    transcutol 829.45
    n-heptanol 192.37
    ethylbenzene 211.74
    MIBK 345.05
    2-propoxyethanol 501.84
    tert-butanol 310.86
    MTBE 380.03
    2-butoxyethanol 267.65
    propionic acid 215.53
    o-xylene 319.17
    formic acid 34.9
    diethyl ether 450.72
    m-xylene 352.93
    p-xylene 256.9
    chlorobenzene 516.14
    dimethyl carbonate 163.58
    n-octane 89.52
    formamide 55.6
    cyclopentanone 1046.83
    2-pentanone 533.74
    anisole 366.28
    cyclopentyl methyl ether 697.78
    gamma-butyrolactone 764.68
    1-methoxy-2-propanol 342.63
    pyridine 693.94
    3-pentanone 440.78
    furfural 686.48
    n-dodecane 63.23
    diethylene glycol 277.97
    diisopropyl ether 219.34
    tert-amyl alcohol 276.64
    acetylacetone 584.25
    n-hexadecane 72.1
    acetophenone 338.04
    methyl propionate 342.34
    isopentyl acetate 452.16
    trichloroethylene 945.28
    n-nonanol 199.93
    cyclohexanol 419.79
    benzyl alcohol 233.42
    2-ethylhexanol 306.77
    isooctanol 161.54
    dipropyl ether 519.14
    1,2-dichlorobenzene 434.35
    ethyl lactate 148.73
    propylene carbonate 431.46
    n-methylformamide 173.75
    2-pentanol 216.96
    n-pentane 133.14
    1-propoxy-2-propanol 492.02
    1-methoxy-2-propyl acetate 474.93
    2-(2-methoxypropoxy) propanol 292.77
    mesitylene 272.19
    ε-caprolactone 661.95
    p-cymene 244.57
    epichlorohydrin 714.38
    1,1,1-trichloroethane 759.68
    2-aminoethanol 87.66
    morpholine-4-carbaldehyde 659.97
    sulfolane 943.01
    2,2,4-trimethylpentane 75.07
    2-methyltetrahydrofuran 900.35
    n-hexyl acetate 389.19
    isooctane 72.37
    2-(2-butoxyethoxy)ethanol 372.65
    sec-butyl acetate 231.59
    tert-butyl acetate 408.75
    decalin 136.75
    glycerin 111.83
    diglyme 644.3
    acrylic acid 170.71
    isopropyl myristate 202.26
    n-butyric acid 352.55
    acetyl acetate 315.76
    di(2-ethylhexyl) phthalate 151.4
    ethyl propionate 267.08
    nitromethane 379.12
    1,2-diethoxyethane 526.11
    benzonitrile 366.0
    trioctyl phosphate 127.94
    1-bromopropane 418.49
    gamma-valerolactone 936.18
    n-decanol 162.19
    triethyl phosphate 188.69
    4-methyl-2-pentanol 147.2
    propionitrile 289.43
    vinylene carbonate 389.31
    1,1,2-trichlorotrifluoroethane 463.51
    DMS 282.13
    cumene 163.44
    2-octanol 158.75
    2-hexanone 352.97
    octyl acetate 232.66
    limonene 404.3
    1,2-dimethoxyethane 514.49
    ethyl orthosilicate 189.46
    tributyl phosphate 152.19
    diacetone alcohol 385.21
    N,N-dimethylaniline 266.01
    acrylonitrile 298.56
    aniline 345.06
    1,3-propanediol 148.53
    bromobenzene 602.87
    dibromomethane 574.24
    1,1,2,2-tetrachloroethane 761.89
    2-methyl-cyclohexyl acetate 325.34
    tetrabutyl urea 214.86
    diisobutyl methanol 222.54
    2-phenylethanol 327.48
    styrene 277.15
    dioctyl adipate 235.68
    dimethyl sulfate 266.88
    ethyl butyrate 404.1
    methyl lactate 174.81
    butyl lactate 214.92
    diethyl carbonate 244.17
    propanediol butyl ether 246.2
    triethyl orthoformate 285.07
    p-tert-butyltoluene 255.36
    methyl 4-tert-butylbenzoate 318.09
    morpholine 752.17
    tert-butylamine 215.37
    n-dodecanol 138.85
    dimethoxymethane 401.37
    ethylene carbonate 335.34
    cyrene 296.37
    2-ethoxyethyl acetate 359.7
    2-ethylhexyl acetate 412.41
    1,2,4-trichlorobenzene 485.49
    4-methylpyridine 691.38
    dibutyl ether 358.26
    2,6-dimethyl-4-heptanol 222.54
    DEF 459.6
    dimethyl isosorbide 537.44
    tetrachloroethylene 515.85
    eugenol 282.12
    triacetin 350.31
    span 80 307.69
    1,4-butanediol 78.69
    1,1-dichloroethane 589.06
    2-methyl-1-pentanol 163.46
    methyl formate 163.32
    2-methyl-1-butanol 196.13
    n-decane 101.44
    butyronitrile 333.02
    3,7-dimethyl-1-octanol 232.14
    1-chlorooctane 245.27
    1-chlorotetradecane 120.73
    n-nonane 108.63
    undecane 77.25
    tert-butylcyclohexane 118.22
    cyclooctane 164.76
    cyclopentanol 384.9
    tetrahydropyran 947.07
    tert-amyl methyl ether 333.83
    2,5,8-trioxanonane 466.93
    1-hexene 249.55
    2-isopropoxyethanol 232.72
    2,2,2-trifluoroethanol 81.73
    methyl butyrate 330.61

    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 4.0%
Onion 8002-72-0 Allium cepa L., fam. Liliaceae 0.2%
Garlic 2 8008-99-9 Allium sativum L., fam. Liliaceae 5.6%
Garlic (China) Allium sativum L., fam. Liliaceae 0.35%
Allium macrochatum (Turkey) Allium macrochaetum Boiss. et Hausskn., fam. Liliaceae 5.21%
Nira (Brazil) Allium tuberosum Rottl., fam. Liliaceae 25.9%
Scallion (Cuba) Allium fistulosum L., fam. Liliaceae 2.6%
Adenocalymma alliaceum (Brazil) 1a leaf Adenocalymma alliaceum Miers, fam. Bignoniaceae 0.1%