Ethyl (ethylthio)methyl disulfide

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  • Identifiers

    CAS number
    183554-16-7

    Molecular formula
    C5H12S3

    SMILES
    CCSCSSCC

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 86.86%
    Onion 79.92%
    Garlic 75.9%
    Alliaceous 72.18%
    Savory 55.97%
    Roasted 50.74%
    Meaty 50.29%
    Cooked 48.79%
    Vegetable 43.51%
    Green 41.8%

     

    Flavor
    Onion 79.56%
    Garlic 72.88%
    Sulfurous 68.09%
    Green 60.69%
    Alliaceous 46.46%
    Sulfury 38.05%
    Cabbage 37.87%
    Metallic 37.17%
    Meaty 31.34%
    Cooked 30.8%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    4.5 (weak acid)

    Molecular weight
    168.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    235°C

    Flash point

    • 105.28 ˚C est.

  • Synonyms

    • Ethyl (ethylthio)methyl disulfide
    • 3,4,6-Trithiaoctane
    • (ethyldisulanyl)methylsulanylethane
    • CHEBI:173758
    • Disulfide, ethyl (ethylthio)methyl
    • DTXSID001295630
    • {[(Ethyldisulfanyl)methyl]sulfanyl}ethane
    • 183554-16-7
    • 183554-16-7

  • Applications

    Ethyl (ethylthio)methyl disulfide (CAS 183554-16-7) is primarily used as an organic synthesis intermediate and sulfur-containing building block. It may serve as a precursor for specialty chemicals, including fragrance/odorant materials in the perfumery industry. In industrial manufacturing, it can be evaluated as a crosslinking or chain-transfer agent or as an additive in polymer and coating formulations. It may participate in sulfur-transfer reactions relevant to rubber or elastomer chemistry, potentially contributing to vulcanization-related processes. Additionally, it is commonly considered for downstream derivative synthesis in materials science and related fields, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 532.74
    methanol 299.13
    isopropanol 496.87
    water 0.05
    ethyl acetate 1571.72
    n-propanol 561.26
    acetone 2411.76
    n-butanol 628.16
    acetonitrile 1146.97
    DMF 1777.35
    toluene 2077.84
    isobutanol 456.29
    1,4-dioxane 3434.24
    methyl acetate 1280.34
    THF 4873.45
    2-butanone 1833.95
    n-pentanol 421.79
    sec-butanol 530.95
    n-hexane 284.35
    ethylene glycol 64.2
    NMP 2038.12
    cyclohexane 1393.49
    DMSO 2459.71
    n-butyl acetate 2125.26
    n-octanol 446.81
    chloroform 4058.0
    n-propyl acetate 1047.01
    acetic acid 660.65
    dichloromethane 3536.99
    cyclohexanone 4450.63
    propylene glycol 132.59
    isopropyl acetate 900.43
    DMAc 1138.33
    2-ethoxyethanol 555.21
    isopentanol 534.1
    n-heptane 648.6
    ethyl formate 820.37
    1,2-dichloroethane 2428.41
    n-hexanol 775.31
    2-methoxyethanol 850.24
    isobutyl acetate 615.38
    tetrachloromethane 931.06
    n-pentyl acetate 1022.32
    transcutol 2320.05
    n-heptanol 367.6
    ethylbenzene 678.86
    MIBK 820.38
    2-propoxyethanol 966.24
    tert-butanol 740.33
    MTBE 1071.38
    2-butoxyethanol 572.9
    propionic acid 566.77
    o-xylene 894.91
    formic acid 70.36
    diethyl ether 1478.95
    m-xylene 918.7
    p-xylene 845.6
    chlorobenzene 2142.45
    dimethyl carbonate 386.19
    n-octane 194.17
    formamide 170.87
    cyclopentanone 4008.57
    2-pentanone 1714.27
    anisole 1086.28
    cyclopentyl methyl ether 2331.77
    gamma-butyrolactone 2956.09
    1-methoxy-2-propanol 707.77
    pyridine 4011.43
    3-pentanone 1315.16
    furfural 2692.01
    n-dodecane 104.13
    diethylene glycol 422.41
    diisopropyl ether 501.64
    tert-amyl alcohol 611.02
    acetylacetone 1723.79
    n-hexadecane 127.06
    acetophenone 1000.26
    methyl propionate 1004.75
    isopentyl acetate 1409.21
    trichloroethylene 4745.11
    n-nonanol 394.07
    cyclohexanol 1266.82
    benzyl alcohol 668.5
    2-ethylhexanol 678.98
    isooctanol 318.68
    dipropyl ether 1523.64
    1,2-dichlorobenzene 1515.43
    ethyl lactate 290.61
    propylene carbonate 1585.4
    n-methylformamide 579.82
    2-pentanol 496.2
    n-pentane 291.09
    1-propoxy-2-propanol 999.28
    1-methoxy-2-propyl acetate 1198.4
    2-(2-methoxypropoxy) propanol 500.53
    mesitylene 568.85
    ε-caprolactone 2715.1
    p-cymene 578.73
    epichlorohydrin 2842.69
    1,1,1-trichloroethane 3004.31
    2-aminoethanol 158.32
    morpholine-4-carbaldehyde 2168.84
    sulfolane 3173.78
    2,2,4-trimethylpentane 114.49
    2-methyltetrahydrofuran 3349.82
    n-hexyl acetate 1135.0
    isooctane 103.94
    2-(2-butoxyethoxy)ethanol 750.25
    sec-butyl acetate 653.07
    tert-butyl acetate 1057.26
    decalin 316.02
    glycerin 175.8
    diglyme 1831.93
    acrylic acid 488.71
    isopropyl myristate 467.27
    n-butyric acid 1050.07
    acetyl acetate 938.72
    di(2-ethylhexyl) phthalate 340.63
    ethyl propionate 815.1
    nitromethane 1402.82
    1,2-diethoxyethane 1680.94
    benzonitrile 1559.27
    trioctyl phosphate 271.62
    1-bromopropane 1680.88
    gamma-valerolactone 3828.24
    n-decanol 288.62
    triethyl phosphate 460.69
    4-methyl-2-pentanol 283.34
    propionitrile 1021.49
    vinylene carbonate 1486.95
    1,1,2-trichlorotrifluoroethane 1376.81
    DMS 661.35
    cumene 339.08
    2-octanol 320.71
    2-hexanone 1074.18
    octyl acetate 539.53
    limonene 1102.04
    1,2-dimethoxyethane 1689.33
    ethyl orthosilicate 471.14
    tributyl phosphate 371.56
    diacetone alcohol 830.95
    N,N-dimethylaniline 597.9
    acrylonitrile 1169.32
    aniline 1280.38
    1,3-propanediol 330.16
    bromobenzene 2694.34
    dibromomethane 2641.52
    1,1,2,2-tetrachloroethane 3396.42
    2-methyl-cyclohexyl acetate 849.27
    tetrabutyl urea 533.1
    diisobutyl methanol 502.52
    2-phenylethanol 767.06
    styrene 1079.06
    dioctyl adipate 605.05
    dimethyl sulfate 602.59
    ethyl butyrate 1369.44
    methyl lactate 317.05
    butyl lactate 560.66
    diethyl carbonate 752.18
    propanediol butyl ether 466.44
    triethyl orthoformate 916.03
    p-tert-butyltoluene 563.47
    methyl 4-tert-butylbenzoate 645.31
    morpholine 3277.71
    tert-butylamine 526.31
    n-dodecanol 232.75
    dimethoxymethane 1120.69
    ethylene carbonate 1304.47
    cyrene 567.86
    2-ethoxyethyl acetate 1118.23
    2-ethylhexyl acetate 1285.4
    1,2,4-trichlorobenzene 1642.33
    4-methylpyridine 3317.33
    dibutyl ether 1209.54
    2,6-dimethyl-4-heptanol 502.52
    DEF 1572.78
    dimethyl isosorbide 1239.84
    tetrachloroethylene 2125.09
    eugenol 545.94
    triacetin 862.11
    span 80 632.3
    1,4-butanediol 133.85
    1,1-dichloroethane 2410.18
    2-methyl-1-pentanol 369.03
    methyl formate 541.91
    2-methyl-1-butanol 470.46
    n-decane 208.81
    butyronitrile 1288.97
    3,7-dimethyl-1-octanol 476.41
    1-chlorooctane 607.6
    1-chlorotetradecane 228.69
    n-nonane 240.95
    undecane 138.1
    tert-butylcyclohexane 209.01
    cyclooctane 456.12
    cyclopentanol 1182.53
    tetrahydropyran 4475.75
    tert-amyl methyl ether 802.55
    2,5,8-trioxanonane 1071.23
    1-hexene 763.31
    2-isopropoxyethanol 436.97
    2,2,2-trifluoroethanol 196.31
    methyl butyrate 1219.46

    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