Methyl prop-1-enyl disulphide

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  • Identifiers

    CAS number
    23838-18-8

    Molecular formula
    C4H8S2

    SMILES
    C/C=C\SSC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Onion 85.46%
    Garlic 79.58%
    Sulfurous 71.9%
    Alliaceous 61.99%
    Pungent 49.3%
    Cooked 47.11%
    Savory 46.33%
    Roasted 36.79%
    Fresh 31.23%
    Cabbage 30.76%

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  • 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 est.
    175°C

    Flash point est.
    38.81 ˚C

  • Synonyms

    • Methyl cis-propenyl disulfide
    • methyl cis-1-propenyl disulfide
    • 1-Propenyl methyl disulfide
    • Methyl prop-1-enyl disulphide
    • cis-1-Propenyl methyl disulfide
    • Methyl (Z)-1-propenyl disulfide
    • Disulfide, methyl propenyl, (Z)-
    • Disulfide, methyl (1Z)-1-propenyl
    • Disulfide, methyl 1-propenyl, (Z)-
    • Disulfide, methyl (1Z)-1-propen-1-yl
    • Methyl propenyl disulfide, (Z)-
    • EINECS 227-605-4
    • Methyl 1-propenyl disulfide
    • (E)-Methyl 1-propenyl disulfide
    • 39OO13A9T4
    • 23838-18-8
    • UNII-39OO13A9T4
    • (Z)-methyl propenyl disulfide
    • methyl-(Z)-propenyl disulfide
    • SCHEMBL5163776
    • (Z)-1-propenylmethyl disulfide
    • FUDUFCLRGSEHAJ-ARJAWSKDSA-N
    • (1Z)-1-(methyldisulfanyl)prop-1-ene
    • (Z)-1-Methyl-2-(prop-1-en-1-yl)disulfane
    • Q27256917

  • Applications

    Methyl prop-1-enyl disulphide (CAS 23838-18-8) is an organosulfur compound with a characteristic onion/garlic note, used primarily as a flavor ingredient to impart alliaceous, sulfurous, roasted and meaty nuances to savory seasonings, sauces, soups, instant noodles, snacks, processed seafood, canned foods, meat analogues, and reaction (Maillard) flavors, typically at very low dosages due to its high odor potency; it is also employed as an aroma reference standard for GC-MS and sensory training, as a marker in quality control of Allium extracts and essential oils, and as a reagent/building block in organic synthesis and studies of disulfide-exchange chemistry, with handling and storage in tightly closed, cool, light-protected conditions to minimize volatility and odor contamination.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 521.99
    methanol 386.75
    isopropanol 582.5
    water 0.59
    ethyl acetate 1267.5
    n-propanol 539.32
    acetone 2062.17
    n-butanol 632.57
    acetonitrile 1048.06
    DMF 1819.79
    toluene 1560.96
    isobutanol 487.73
    1,4-dioxane 2561.7
    methyl acetate 1069.25
    THF 3465.2
    2-butanone 1459.31
    n-pentanol 425.23
    sec-butanol 582.68
    n-hexane 409.0
    ethylene glycol 121.42
    NMP 2161.72
    cyclohexane 1128.75
    DMSO 2027.98
    n-butyl acetate 1489.5
    n-octanol 483.02
    chloroform 2836.4
    n-propyl acetate 781.91
    acetic acid 565.74
    dichloromethane 2328.86
    cyclohexanone 3099.66
    propylene glycol 197.59
    isopropyl acetate 837.98
    DMAc 1204.35
    2-ethoxyethanol 606.21
    isopentanol 524.4
    n-heptane 643.12
    ethyl formate 687.04
    1,2-dichloroethane 1580.91
    n-hexanol 811.67
    2-methoxyethanol 895.74
    isobutyl acetate 558.6
    tetrachloromethane 975.27
    n-pentyl acetate 759.13
    transcutol 1740.99
    n-heptanol 425.68
    ethylbenzene 572.7
    MIBK 866.45
    2-propoxyethanol 1078.1
    tert-butanol 855.76
    MTBE 1068.36
    2-butoxyethanol 586.07
    propionic acid 551.61
    o-xylene 813.38
    formic acid 93.53
    diethyl ether 1305.54
    m-xylene 958.46
    p-xylene 673.65
    chlorobenzene 1489.44
    dimethyl carbonate 482.88
    n-octane 230.71
    formamide 177.79
    cyclopentanone 3069.86
    2-pentanone 1504.96
    anisole 953.98
    cyclopentyl methyl ether 1977.72
    gamma-butyrolactone 2342.5
    1-methoxy-2-propanol 857.51
    pyridine 2099.44
    3-pentanone 1191.93
    furfural 2076.16
    n-dodecane 158.94
    diethylene glycol 591.95
    diisopropyl ether 576.19
    tert-amyl alcohol 708.37
    acetylacetone 1614.5
    n-hexadecane 184.3
    acetophenone 860.06
    methyl propionate 962.48
    isopentyl acetate 1088.92
    trichloroethylene 2937.52
    n-nonanol 431.91
    cyclohexanol 1158.76
    benzyl alcohol 570.21
    2-ethylhexanol 668.93
    isooctanol 357.27
    dipropyl ether 1278.47
    1,2-dichlorobenzene 1224.2
    ethyl lactate 328.42
    propylene carbonate 1262.57
    n-methylformamide 606.82
    2-pentanol 561.52
    n-pentane 410.39
    1-propoxy-2-propanol 1001.77
    1-methoxy-2-propyl acetate 1076.5
    2-(2-methoxypropoxy) propanol 551.35
    mesitylene 694.24
    ε-caprolactone 1884.76
    p-cymene 539.99
    epichlorohydrin 2115.91
    1,1,1-trichloroethane 2343.85
    2-aminoethanol 213.42
    morpholine-4-carbaldehyde 2039.17
    sulfolane 2871.45
    2,2,4-trimethylpentane 197.24
    2-methyltetrahydrofuran 2571.13
    n-hexyl acetate 958.9
    isooctane 203.83
    2-(2-butoxyethoxy)ethanol 755.32
    sec-butyl acetate 570.06
    tert-butyl acetate 1064.73
    decalin 354.52
    glycerin 270.43
    diglyme 1533.58
    acrylic acid 469.54
    isopropyl myristate 466.36
    n-butyric acid 934.44
    acetyl acetate 829.7
    di(2-ethylhexyl) phthalate 323.15
    ethyl propionate 716.51
    nitromethane 1271.27
    1,2-diethoxyethane 1222.07
    benzonitrile 1121.42
    trioctyl phosphate 272.52
    1-bromopropane 1317.82
    gamma-valerolactone 2797.42
    n-decanol 346.83
    triethyl phosphate 415.25
    4-methyl-2-pentanol 345.86
    propionitrile 866.15
    vinylene carbonate 1172.02
    1,1,2-trichlorotrifluoroethane 1178.77
    DMS 680.76
    cumene 373.71
    2-octanol 368.34
    2-hexanone 935.68
    octyl acetate 534.23
    limonene 936.62
    1,2-dimethoxyethane 1344.07
    ethyl orthosilicate 417.16
    tributyl phosphate 326.55
    diacetone alcohol 896.05
    N,N-dimethylaniline 648.82
    acrylonitrile 940.02
    aniline 979.0
    1,3-propanediol 399.92
    bromobenzene 1823.84
    dibromomethane 1838.89
    1,1,2,2-tetrachloroethane 2258.41
    2-methyl-cyclohexyl acetate 733.31
    tetrabutyl urea 499.7
    diisobutyl methanol 479.71
    2-phenylethanol 726.49
    styrene 791.42
    dioctyl adipate 551.15
    dimethyl sulfate 764.3
    ethyl butyrate 1014.53
    methyl lactate 435.06
    butyl lactate 450.45
    diethyl carbonate 585.63
    propanediol butyl ether 515.31
    triethyl orthoformate 668.62
    p-tert-butyltoluene 555.9
    methyl 4-tert-butylbenzoate 681.46
    morpholine 2303.06
    tert-butylamine 585.35
    n-dodecanol 298.01
    dimethoxymethane 1245.08
    ethylene carbonate 1021.44
    cyrene 622.29
    2-ethoxyethyl acetate 838.96
    2-ethylhexyl acetate 984.68
    1,2,4-trichlorobenzene 1316.9
    4-methylpyridine 2184.16
    dibutyl ether 911.83
    2,6-dimethyl-4-heptanol 479.71
    DEF 1356.79
    dimethyl isosorbide 1175.99
    tetrachloroethylene 1456.73
    eugenol 589.95
    triacetin 751.29
    span 80 633.87
    1,4-butanediol 194.54
    1,1-dichloroethane 1905.49
    2-methyl-1-pentanol 393.11
    methyl formate 578.59
    2-methyl-1-butanol 513.79
    n-decane 246.5
    butyronitrile 1035.86
    3,7-dimethyl-1-octanol 476.75
    1-chlorooctane 602.46
    1-chlorotetradecane 301.23
    n-nonane 277.43
    undecane 192.94
    tert-butylcyclohexane 302.97
    cyclooctane 510.9
    cyclopentanol 1075.0
    tetrahydropyran 2877.15
    tert-amyl methyl ether 883.77
    2,5,8-trioxanonane 1017.22
    1-hexene 713.36
    2-isopropoxyethanol 512.89
    2,2,2-trifluoroethanol 217.57
    methyl butyrate 919.09

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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 8002-72-0 Allium cepa L., fam. Liliaceae 2.1%
Onion (shallot) 8002-72-0 Allium cepa L., Aggregatum g., fam. Liliaceae 2.9%
Onion, welsh 8002-72-0 Allium fistulosum L. var. Maichuon, fam. Liliaceae 0.1%
Scallion Allium fistulosum L. var. Caespitosum, fam. Liliaceae 0.1%
Asafoetida (Pakistan) 2 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.88%
Asafoetida (Iran) 1 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.01%
Asafoetida headspace 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.09%