(Ethylthio) methyl methyl disulfide

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  • Identifiers

    CAS number
    110504-57-9

    Molecular formula
    C4H10S3

    SMILES
    CCSCSSC

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 86.9%
    Onion 81.39%
    Garlic 76.67%
    Alliaceous 70.11%
    Savory 55.61%
    Roasted 51.47%
    Cooked 50.53%
    Meaty 50.1%
    Pungent 42.13%
    Vegetable 41.93%

     

    Flavor
    Onion 78.43%
    Garlic 72.0%
    Sulfurous 68.38%
    Green 56.22%
    Alliaceous 44.65%
    Cabbage 42.0%
    Sulfury 39.88%
    Meaty 36.93%
    Metallic 34.48%
    Sulfur 32.12%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    3.04 (weak acid)

    Molecular weight
    154.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    227°C

    Flash point

    • 87.79 ˚C est.

  • Synonyms

    • (Ethylthio) methyl methyl disulfide
    • 110504-57-9
    • 110504-57-9

  • Applications

    Chemical name and CAS: (Ethylthio) methyl methyl disulfide, CAS 110504-57-9, may serve as an organic synthesis intermediate containing sulfur; in fragrance and perfumery, it is regarded as an odorant component or fixative; in cosmetics/personal care, as a fragrance precursor or functional intermediate; in the polymers/plastics sector, as a precursor to sulfur-containing monomers or as a functionalizing agent for polymer systems; in coatings/inks and adhesives, as a reactive intermediate or specialized additive.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 325.73
    methanol 153.46
    isopropanol 356.08
    water 0.2
    ethyl acetate 682.19
    n-propanol 379.52
    acetone 1075.97
    n-butanol 422.74
    acetonitrile 572.36
    DMF 944.83
    toluene 951.22
    isobutanol 325.79
    1,4-dioxane 1463.78
    methyl acetate 641.85
    THF 2338.32
    2-butanone 963.5
    n-pentanol 283.3
    sec-butanol 393.13
    n-hexane 145.27
    ethylene glycol 65.34
    NMP 1027.47
    cyclohexane 635.72
    DMSO 1164.26
    n-butyl acetate 948.35
    n-octanol 335.79
    chloroform 2287.79
    n-propyl acetate 479.06
    acetic acid 367.28
    dichloromethane 1937.57
    cyclohexanone 2030.54
    propylene glycol 125.47
    isopropyl acetate 419.71
    DMAc 621.83
    2-ethoxyethanol 323.86
    isopentanol 328.25
    n-heptane 406.41
    ethyl formate 461.23
    1,2-dichloroethane 1121.2
    n-hexanol 517.82
    2-methoxyethanol 496.79
    isobutyl acetate 330.38
    tetrachloromethane 589.17
    n-pentyl acetate 512.24
    transcutol 1039.8
    n-heptanol 291.17
    ethylbenzene 378.67
    MIBK 433.49
    2-propoxyethanol 570.17
    tert-butanol 494.25
    MTBE 533.18
    2-butoxyethanol 385.66
    propionic acid 389.31
    o-xylene 495.79
    formic acid 44.29
    diethyl ether 593.2
    m-xylene 510.39
    p-xylene 454.97
    chlorobenzene 1037.55
    dimethyl carbonate 226.35
    n-octane 135.21
    formamide 104.03
    cyclopentanone 2033.57
    2-pentanone 831.1
    anisole 585.21
    cyclopentyl methyl ether 1067.32
    gamma-butyrolactone 1554.07
    1-methoxy-2-propanol 455.17
    pyridine 1749.5
    3-pentanone 638.26
    furfural 1348.59
    n-dodecane 88.11
    diethylene glycol 294.67
    diisopropyl ether 244.36
    tert-amyl alcohol 412.26
    acetylacetone 821.74
    n-hexadecane 103.24
    acetophenone 576.06
    methyl propionate 546.05
    isopentyl acetate 683.58
    trichloroethylene 2316.88
    n-nonanol 299.03
    cyclohexanol 784.27
    benzyl alcohol 421.71
    2-ethylhexanol 454.34
    isooctanol 243.18
    dipropyl ether 770.42
    1,2-dichlorobenzene 827.09
    ethyl lactate 200.43
    propylene carbonate 881.78
    n-methylformamide 356.46
    2-pentanol 335.68
    n-pentane 177.86
    1-propoxy-2-propanol 609.74
    1-methoxy-2-propyl acetate 595.07
    2-(2-methoxypropoxy) propanol 318.53
    mesitylene 339.56
    ε-caprolactone 1216.68
    p-cymene 395.69
    epichlorohydrin 1413.27
    1,1,1-trichloroethane 1480.1
    2-aminoethanol 132.13
    morpholine-4-carbaldehyde 1036.07
    sulfolane 1720.57
    2,2,4-trimethylpentane 79.12
    2-methyltetrahydrofuran 1595.72
    n-hexyl acetate 593.57
    isooctane 68.47
    2-(2-butoxyethoxy)ethanol 472.57
    sec-butyl acetate 332.12
    tert-butyl acetate 501.35
    decalin 176.92
    glycerin 147.39
    diglyme 1028.44
    acrylic acid 333.02
    isopropyl myristate 289.35
    n-butyric acid 610.07
    acetyl acetate 440.17
    di(2-ethylhexyl) phthalate 228.0
    ethyl propionate 410.84
    nitromethane 686.23
    1,2-diethoxyethane 691.1
    benzonitrile 828.71
    trioctyl phosphate 192.01
    1-bromopropane 812.4
    gamma-valerolactone 1736.83
    n-decanol 227.27
    triethyl phosphate 270.58
    4-methyl-2-pentanol 187.13
    propionitrile 588.85
    vinylene carbonate 858.61
    1,1,2-trichlorotrifluoroethane 763.14
    DMS 340.28
    cumene 226.24
    2-octanol 242.46
    2-hexanone 552.86
    octyl acetate 344.1
    limonene 657.96
    1,2-dimethoxyethane 797.73
    ethyl orthosilicate 272.33
    tributyl phosphate 231.58
    diacetone alcohol 474.05
    N,N-dimethylaniline 373.65
    acrylonitrile 666.26
    aniline 673.09
    1,3-propanediol 229.17
    bromobenzene 1293.06
    dibromomethane 1481.75
    1,1,2,2-tetrachloroethane 1639.47
    2-methyl-cyclohexyl acetate 521.83
    tetrabutyl urea 351.89
    diisobutyl methanol 335.78
    2-phenylethanol 491.74
    styrene 522.51
    dioctyl adipate 379.58
    dimethyl sulfate 344.68
    ethyl butyrate 683.41
    methyl lactate 220.72
    butyl lactate 334.85
    diethyl carbonate 411.51
    propanediol butyl ether 334.64
    triethyl orthoformate 476.66
    p-tert-butyltoluene 386.1
    methyl 4-tert-butylbenzoate 439.57
    morpholine 1395.27
    tert-butylamine 352.99
    n-dodecanol 192.64
    dimethoxymethane 604.45
    ethylene carbonate 693.75
    cyrene 408.74
    2-ethoxyethyl acetate 531.48
    2-ethylhexyl acetate 633.46
    1,2,4-trichlorobenzene 895.37
    4-methylpyridine 1445.3
    dibutyl ether 594.53
    2,6-dimethyl-4-heptanol 335.78
    DEF 728.89
    dimethyl isosorbide 724.72
    tetrachloroethylene 1035.85
    eugenol 390.62
    triacetin 495.11
    span 80 423.44
    1,4-butanediol 111.76
    1,1-dichloroethane 1247.32
    2-methyl-1-pentanol 242.91
    methyl formate 328.85
    2-methyl-1-butanol 318.64
    n-decane 152.43
    butyronitrile 708.57
    3,7-dimethyl-1-octanol 325.6
    1-chlorooctane 387.88
    1-chlorotetradecane 170.46
    n-nonane 168.39
    undecane 110.53
    tert-butylcyclohexane 128.34
    cyclooctane 247.37
    cyclopentanol 752.18
    tetrahydropyran 1827.42
    tert-amyl methyl ether 428.3
    2,5,8-trioxanonane 654.59
    1-hexene 366.32
    2-isopropoxyethanol 282.19
    2,2,2-trifluoroethanol 128.1
    methyl butyrate 587.15

    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