Ethyl (methylthio)methyl disulfide

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  • Identifiers

    CAS number
    183554-12-3

    Molecular formula
    C4H10S3

    SMILES
    CCSSCSC

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 87.87%
    Onion 83.92%
    Garlic 80.26%
    Alliaceous 73.25%
    Savory 55.35%
    Cooked 53.92%
    Vegetable 50.53%
    Green 49.33%
    Roasted 49.32%
    Pungent 46.57%

     

    Flavor
    Onion 81.34%
    Garlic 75.66%
    Sulfurous 68.99%
    Green 65.11%
    Alliaceous 49.57%
    Cabbage 41.99%
    Metallic 38.74%
    Sulfury 36.53%
    Meaty 33.64%
    Sulfur 33.6%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    3.16 (weak acid)

    Molecular weight
    154.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    226°C

    Flash point

    • 89.06 ˚C est.

  • Synonyms

    • Ethyl (methylthio)methyl disulfide
    • 2,4,5-trithiaheptane
    • {[(methylsulfanyl)methyl]disulfanyl}ethane
    • CHEBI:173656
    • Ethyl(methylthio)methyl disulphide
    • LGRRPFGGSKUKDE-UHFFFAOYSA-N
    • DTXSID501295223
    • (methylsulanylmethyldisulanyl)ethane
    • Disulfide, ethyl (methylthio)methyl
    • 183554-12-3
    • 183554-12-3

  • Applications

    Ethyl (methylthio)methyl disulfide, CAS 183554-12-3, is primarily used as an odorant in perfumery and flavoring, and may be incorporated into cosmetics and personal care products as a fragrance ingredient; it is also considered an intermediate for the synthesis of sulfur-containing compounds used in specialty chemicals; in the flavor and food-related space, it may be evaluated for aroma formulations at the research and development stage, subject to regulatory and safety limits; additionally, it is studied as a precursor or functional component that could participate in polymer and coatings systems to impart sulfur-containing characteristics; these applications require compliance with local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 418.38
    methanol 273.61
    isopropanol 371.9
    water 0.19
    ethyl acetate 682.29
    n-propanol 400.87
    acetone 1192.6
    n-butanol 431.04
    acetonitrile 544.72
    DMF 1142.98
    toluene 873.38
    isobutanol 320.99
    1,4-dioxane 1624.63
    methyl acetate 584.2
    THF 2794.61
    2-butanone 886.13
    n-pentanol 277.48
    sec-butanol 359.81
    n-hexane 140.43
    ethylene glycol 73.24
    NMP 1210.57
    cyclohexane 667.16
    DMSO 1566.31
    n-butyl acetate 1047.91
    n-octanol 298.15
    chloroform 1915.47
    n-propyl acetate 469.79
    acetic acid 437.87
    dichloromethane 1799.6
    cyclohexanone 2196.61
    propylene glycol 120.91
    isopropyl acetate 418.5
    DMAc 651.01
    2-ethoxyethanol 345.58
    isopentanol 308.41
    n-heptane 455.14
    ethyl formate 464.92
    1,2-dichloroethane 1091.12
    n-hexanol 553.81
    2-methoxyethanol 558.92
    isobutyl acetate 315.84
    tetrachloromethane 498.92
    n-pentyl acetate 520.61
    transcutol 1101.77
    n-heptanol 266.65
    ethylbenzene 301.45
    MIBK 431.26
    2-propoxyethanol 664.95
    tert-butanol 472.58
    MTBE 471.63
    2-butoxyethanol 361.91
    propionic acid 386.27
    o-xylene 431.29
    formic acid 58.23
    diethyl ether 665.96
    m-xylene 468.02
    p-xylene 373.61
    chlorobenzene 940.75
    dimethyl carbonate 215.47
    n-octane 128.25
    formamide 117.14
    cyclopentanone 2203.24
    2-pentanone 829.06
    anisole 494.69
    cyclopentyl methyl ether 1151.38
    gamma-butyrolactone 1637.34
    1-methoxy-2-propanol 456.11
    pyridine 1632.59
    3-pentanone 637.09
    furfural 1343.64
    n-dodecane 80.04
    diethylene glycol 350.37
    diisopropyl ether 251.99
    tert-amyl alcohol 355.52
    acetylacetone 852.46
    n-hexadecane 93.77
    acetophenone 489.44
    methyl propionate 508.74
    isopentyl acetate 712.85
    trichloroethylene 1952.25
    n-nonanol 261.66
    cyclohexanol 811.67
    benzyl alcohol 363.56
    2-ethylhexanol 452.92
    isooctanol 212.6
    dipropyl ether 906.73
    1,2-dichlorobenzene 727.89
    ethyl lactate 186.92
    propylene carbonate 840.67
    n-methylformamide 395.31
    2-pentanol 316.67
    n-pentane 176.2
    1-propoxy-2-propanol 651.31
    1-methoxy-2-propyl acetate 637.33
    2-(2-methoxypropoxy) propanol 315.92
    mesitylene 315.13
    ε-caprolactone 1340.19
    p-cymene 361.97
    epichlorohydrin 1355.38
    1,1,1-trichloroethane 1251.3
    2-aminoethanol 141.93
    morpholine-4-carbaldehyde 1205.13
    sulfolane 1768.21
    2,2,4-trimethylpentane 67.81
    2-methyltetrahydrofuran 1725.39
    n-hexyl acetate 583.9
    isooctane 63.4
    2-(2-butoxyethoxy)ethanol 464.95
    sec-butyl acetate 310.8
    tert-butyl acetate 471.21
    decalin 164.14
    glycerin 149.62
    diglyme 1020.92
    acrylic acid 316.71
    isopropyl myristate 283.77
    n-butyric acid 613.75
    acetyl acetate 424.89
    di(2-ethylhexyl) phthalate 216.81
    ethyl propionate 370.84
    nitromethane 728.75
    1,2-diethoxyethane 762.96
    benzonitrile 741.99
    trioctyl phosphate 188.46
    1-bromopropane 790.99
    gamma-valerolactone 1995.49
    n-decanol 206.66
    triethyl phosphate 261.76
    4-methyl-2-pentanol 171.82
    propionitrile 540.33
    vinylene carbonate 779.28
    1,1,2-trichlorotrifluoroethane 708.2
    DMS 346.77
    cumene 184.5
    2-octanol 213.57
    2-hexanone 531.65
    octyl acetate 325.82
    limonene 649.14
    1,2-dimethoxyethane 878.94
    ethyl orthosilicate 264.3
    tributyl phosphate 235.02
    diacetone alcohol 452.24
    N,N-dimethylaniline 316.92
    acrylonitrile 616.75
    aniline 598.48
    1,3-propanediol 253.56
    bromobenzene 1134.37
    dibromomethane 1316.58
    1,1,2,2-tetrachloroethane 1393.08
    2-methyl-cyclohexyl acetate 514.04
    tetrabutyl urea 365.66
    diisobutyl methanol 319.75
    2-phenylethanol 457.28
    styrene 432.62
    dioctyl adipate 359.74
    dimethyl sulfate 330.82
    ethyl butyrate 697.48
    methyl lactate 202.96
    butyl lactate 332.67
    diethyl carbonate 384.44
    propanediol butyl ether 321.38
    triethyl orthoformate 459.52
    p-tert-butyltoluene 350.17
    methyl 4-tert-butylbenzoate 390.18
    morpholine 1551.04
    tert-butylamine 326.89
    n-dodecanol 178.37
    dimethoxymethane 677.76
    ethylene carbonate 674.94
    cyrene 394.95
    2-ethoxyethyl acetate 539.17
    2-ethylhexyl acetate 638.2
    1,2,4-trichlorobenzene 761.85
    4-methylpyridine 1380.86
    dibutyl ether 609.57
    2,6-dimethyl-4-heptanol 319.75
    DEF 772.48
    dimethyl isosorbide 762.44
    tetrachloroethylene 921.62
    eugenol 354.67
    triacetin 435.78
    span 80 412.65
    1,4-butanediol 112.56
    1,1-dichloroethane 1105.62
    2-methyl-1-pentanol 223.86
    methyl formate 347.57
    2-methyl-1-butanol 294.75
    n-decane 140.09
    butyronitrile 692.38
    3,7-dimethyl-1-octanol 297.26
    1-chlorooctane 366.06
    1-chlorotetradecane 163.42
    n-nonane 154.51
    undecane 99.96
    tert-butylcyclohexane 116.16
    cyclooctane 234.83
    cyclopentanol 796.21
    tetrahydropyran 2041.87
    tert-amyl methyl ether 381.31
    2,5,8-trioxanonane 659.98
    1-hexene 360.09
    2-isopropoxyethanol 282.14
    2,2,2-trifluoroethanol 125.11
    methyl butyrate 545.71

    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