Disulfide, ethyl 1-(methylthio)ethyl

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  • Identifiers

    CAS number
    183554-13-4

    Molecular formula
    C5H12S3

    SMILES
    CCSSC(C)SC

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 85.85%
    Onion 78.82%
    Garlic 71.74%
    Alliaceous 70.38%
    Savory 54.76%
    Meaty 50.99%
    Roasted 49.8%
    Green 49.13%
    Cooked 46.73%
    Vegetable 43.55%

     

    Flavor
    Onion 76.3%
    Sulfurous 68.14%
    Garlic 67.4%
    Green 48.67%
    Alliaceous 47.25%
    Cabbage 38.71%
    Meaty 35.98%
    Sulfury 35.81%
    Metallic 31.93%
    Cooked 31.38%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    3.95 (weak acid)

    Molecular weight
    168.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    223°C

    Flash point

    • 86.18 ˚C est.

  • Synonyms

    • Disulfide, ethyl 1-(methylthio)ethyl
    • 183554-13-4
    • RefChem:339234
    • Ethyl 1-(methylthio)ethyl disulfide
    • SCHEMBL10715767
    • CHEBI:173757
    • DTXSID001290630
    • 1-(ethyldisulanyl)-1-methylsulanylethane
    • 1-(Ethyldisulfanyl)-1-(methylsulfanyl)ethane
    • 183554-13-4

  • Applications

    Disulfide, ethyl 1-(methylthio)ethyl (CAS 183554-13-4) is typically used as an odorant/fragrance ingredient in perfumery and personal care, where it can contribute distinctive sulfur-containing notes and may act as a fixative; it is also employed as a fragrance component in household cleaning products; it serves as an intermediate in industrial manufacturing for the synthesis of sulfur-containing organic compounds; and it is occasionally evaluated for use in coatings or inks as a fragrance additive in formulation development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 199.77
    methanol 107.14
    isopropanol 236.37
    water 0.08
    ethyl acetate 670.66
    n-propanol 248.99
    acetone 1030.11
    n-butanol 264.39
    acetonitrile 434.17
    DMF 1049.31
    toluene 891.3
    isobutanol 214.61
    1,4-dioxane 1466.65
    methyl acetate 661.86
    THF 2185.65
    2-butanone 926.69
    n-pentanol 193.08
    sec-butanol 262.59
    n-hexane 71.8
    ethylene glycol 36.03
    NMP 1155.32
    cyclohexane 400.28
    DMSO 1004.87
    n-butyl acetate 1073.64
    n-octanol 282.87
    chloroform 1803.24
    n-propyl acetate 480.99
    acetic acid 244.07
    dichloromethane 1604.31
    cyclohexanone 2097.3
    propylene glycol 73.26
    isopropyl acetate 461.52
    DMAc 773.9
    2-ethoxyethanol 276.4
    isopentanol 229.85
    n-heptane 242.7
    ethyl formate 405.35
    1,2-dichloroethane 997.29
    n-hexanol 395.07
    2-methoxyethanol 391.18
    isobutyl acetate 343.53
    tetrachloromethane 480.68
    n-pentyl acetate 580.65
    transcutol 1007.7
    n-heptanol 229.26
    ethylbenzene 322.57
    MIBK 441.25
    2-propoxyethanol 541.85
    tert-butanol 374.23
    MTBE 536.67
    2-butoxyethanol 331.04
    propionic acid 264.36
    o-xylene 486.95
    formic acid 27.22
    diethyl ether 526.03
    m-xylene 492.95
    p-xylene 427.25
    chlorobenzene 995.73
    dimethyl carbonate 212.74
    n-octane 90.68
    formamide 67.27
    cyclopentanone 1997.19
    2-pentanone 753.89
    anisole 588.59
    cyclopentyl methyl ether 970.02
    gamma-butyrolactone 1438.29
    1-methoxy-2-propanol 377.89
    pyridine 1541.22
    3-pentanone 651.35
    furfural 1324.04
    n-dodecane 68.9
    diethylene glycol 271.98
    diisopropyl ether 236.89
    tert-amyl alcohol 320.1
    acetylacetone 905.81
    n-hexadecane 82.69
    acetophenone 582.04
    methyl propionate 498.2
    isopentyl acetate 770.82
    trichloroethylene 2051.51
    n-nonanol 259.6
    cyclohexanol 565.06
    benzyl alcohol 372.7
    2-ethylhexanol 353.21
    isooctanol 198.01
    dipropyl ether 663.61
    1,2-dichlorobenzene 858.98
    ethyl lactate 183.8
    propylene carbonate 840.51
    n-methylformamide 296.17
    2-pentanol 216.73
    n-pentane 83.1
    1-propoxy-2-propanol 539.64
    1-methoxy-2-propyl acetate 707.79
    2-(2-methoxypropoxy) propanol 354.96
    mesitylene 345.87
    ε-caprolactone 1322.67
    p-cymene 365.09
    epichlorohydrin 1437.09
    1,1,1-trichloroethane 1391.55
    2-aminoethanol 78.48
    morpholine-4-carbaldehyde 1207.67
    sulfolane 1703.64
    2,2,4-trimethylpentane 58.9
    2-methyltetrahydrofuran 1513.26
    n-hexyl acetate 665.94
    isooctane 54.43
    2-(2-butoxyethoxy)ethanol 457.02
    sec-butyl acetate 354.62
    tert-butyl acetate 585.22
    decalin 134.37
    glycerin 98.69
    diglyme 986.14
    acrylic acid 216.39
    isopropyl myristate 337.27
    n-butyric acid 449.62
    acetyl acetate 488.76
    di(2-ethylhexyl) phthalate 245.06
    ethyl propionate 400.26
    nitromethane 587.56
    1,2-diethoxyethane 768.42
    benzonitrile 815.33
    trioctyl phosphate 206.23
    1-bromopropane 643.9
    gamma-valerolactone 1912.93
    n-decanol 200.83
    triethyl phosphate 292.29
    4-methyl-2-pentanol 145.81
    propionitrile 437.27
    vinylene carbonate 795.77
    1,1,2-trichlorotrifluoroethane 726.35
    DMS 441.24
    cumene 205.15
    2-octanol 216.29
    2-hexanone 558.42
    octyl acetate 379.4
    limonene 604.63
    1,2-dimethoxyethane 815.41
    ethyl orthosilicate 290.86
    tributyl phosphate 252.1
    diacetone alcohol 489.97
    N,N-dimethylaniline 373.56
    acrylonitrile 528.72
    aniline 571.05
    1,3-propanediol 159.03
    bromobenzene 1254.49
    dibromomethane 1100.93
    1,1,2,2-tetrachloroethane 1462.86
    2-methyl-cyclohexyl acetate 551.42
    tetrabutyl urea 374.33
    diisobutyl methanol 284.47
    2-phenylethanol 485.3
    styrene 454.79
    dioctyl adipate 399.57
    dimethyl sulfate 356.9
    ethyl butyrate 705.84
    methyl lactate 181.36
    butyl lactate 342.96
    diethyl carbonate 425.46
    propanediol butyl ether 307.72
    triethyl orthoformate 489.41
    p-tert-butyltoluene 370.78
    methyl 4-tert-butylbenzoate 490.0
    morpholine 1278.69
    tert-butylamine 244.84
    n-dodecanol 167.99
    dimethoxymethane 588.31
    ethylene carbonate 663.82
    cyrene 428.33
    2-ethoxyethyl acetate 646.78
    2-ethylhexyl acetate 726.45
    1,2,4-trichlorobenzene 965.13
    4-methylpyridine 1433.14
    dibutyl ether 543.56
    2,6-dimethyl-4-heptanol 284.47
    DEF 744.27
    dimethyl isosorbide 886.26
    tetrachloroethylene 886.36
    eugenol 411.49
    triacetin 560.41
    span 80 414.78
    1,4-butanediol 75.13
    1,1-dichloroethane 1124.26
    2-methyl-1-pentanol 177.09
    methyl formate 284.04
    2-methyl-1-butanol 216.38
    n-decane 116.49
    butyronitrile 533.53
    3,7-dimethyl-1-octanol 292.8
    1-chlorooctane 345.07
    1-chlorotetradecane 161.96
    n-nonane 121.41
    undecane 85.42
    tert-butylcyclohexane 111.13
    cyclooctane 151.57
    cyclopentanol 571.76
    tetrahydropyran 1576.05
    tert-amyl methyl ether 425.34
    2,5,8-trioxanonane 674.62
    1-hexene 232.69
    2-isopropoxyethanol 258.37
    2,2,2-trifluoroethanol 97.82
    methyl butyrate 551.07

    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