Ethyl 1-(ethylthio)ethyl disulfide

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  • Identifiers

    CAS number
    94944-48-6

    Molecular formula
    C6H14S3

    SMILES
    CCSC(C)SSCC

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 84.22%
    Onion 74.25%
    Alliaceous 68.02%
    Garlic 65.96%
    Meaty 57.89%
    Savory 54.32%
    Roasted 51.39%
    Tropical 44.99%
    Fruity 44.67%
    Cooked 43.51%

     

    Flavor
    Onion 74.53%
    Sulfurous 67.56%
    Garlic 64.47%
    Alliaceous 45.81%
    Green 41.63%
    Sulfury 37.83%
    Cabbage 36.09%
    Meaty 35.47%
    Cooked 30.94%
    Metallic 30.83%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    5.01 (weak acid)

    Molecular weight
    182.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    234°C

    Flash point

    • 102.29 ˚C est.

  • Synonyms

    • Ethyl 1-(ethylthio)ethyl disulfide
    • 1-(ethyldisulfanyl)-1-(ethylsulfanyl)ethane
    • 94944-48-6
    • 5-Methyl-3,4,6-trithiaoctane
    • CHEBI:173866
    • DTXSID501294287
    • Disulfide, ethyl 1-(ethylthio)ethyl
    • 1-(ethyldisulanyl)-1-ethylsulanylethane
    • 94944-48-6

  • Applications

    Ethyl 1-(ethylthio)ethyl disulfide (CAS 94944-48-6) is a sulfur-containing disulfide with several potential industrial applications. In perfumery and personal care, it may be used as an odorant or fragrance component, contributing sulfur notes or acting as a fixative; it is also used as an intermediate for the synthesis of other sulfur-containing compounds. In polymer chemistry, it can function as a disulfide crosslinking agent or processing modifier for elastomers or thermosets. In coatings, inks, and adhesives, it may serve as an additive or precursor. It may also be evaluated for use in cleaning products as a fragrance component. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 741.32
    methanol 411.8
    isopropanol 756.7
    water 0.11
    ethyl acetate 2438.93
    n-propanol 816.35
    acetone 3412.36
    n-butanol 883.99
    acetonitrile 1667.7
    DMF 2980.32
    toluene 2676.86
    isobutanol 711.22
    1,4-dioxane 4563.99
    methyl acetate 1987.59
    THF 6604.49
    2-butanone 2829.41
    n-pentanol 564.77
    sec-butanol 808.67
    n-hexane 364.04
    ethylene glycol 91.02
    NMP 3484.13
    cyclohexane 1650.82
    DMSO 2913.96
    n-butyl acetate 3211.06
    n-octanol 691.88
    chloroform 5570.7
    n-propyl acetate 1497.22
    acetic acid 865.98
    dichloromethane 4778.79
    cyclohexanone 6632.69
    propylene glycol 190.41
    isopropyl acetate 1527.99
    DMAc 1923.51
    2-ethoxyethanol 742.82
    isopentanol 782.25
    n-heptane 784.28
    ethyl formate 1258.09
    1,2-dichloroethane 3265.2
    n-hexanol 1163.56
    2-methoxyethanol 1199.26
    isobutyl acetate 969.63
    tetrachloromethane 1500.21
    n-pentyl acetate 1648.48
    transcutol 2683.74
    n-heptanol 585.76
    ethylbenzene 857.63
    MIBK 1345.44
    2-propoxyethanol 1484.89
    tert-butanol 1145.3
    MTBE 1801.06
    2-butoxyethanol 840.4
    propionic acid 856.56
    o-xylene 1213.21
    formic acid 101.83
    diethyl ether 2191.92
    m-xylene 1322.09
    p-xylene 1129.11
    chlorobenzene 2892.38
    dimethyl carbonate 616.18
    n-octane 264.96
    formamide 229.71
    cyclopentanone 6035.68
    2-pentanone 2496.34
    anisole 1541.05
    cyclopentyl methyl ether 3166.02
    gamma-butyrolactone 4486.74
    1-methoxy-2-propanol 1041.53
    pyridine 4880.81
    3-pentanone 2069.71
    furfural 3757.23
    n-dodecane 154.23
    diethylene glycol 668.15
    diisopropyl ether 823.24
    tert-amyl alcohol 950.05
    acetylacetone 2628.2
    n-hexadecane 187.09
    acetophenone 1399.65
    methyl propionate 1556.85
    isopentyl acetate 2223.53
    trichloroethylene 6181.69
    n-nonanol 600.42
    cyclohexanol 1869.94
    benzyl alcohol 897.49
    2-ethylhexanol 1014.21
    isooctanol 502.53
    dipropyl ether 2064.16
    1,2-dichlorobenzene 2263.75
    ethyl lactate 420.59
    propylene carbonate 2448.1
    n-methylformamide 933.29
    2-pentanol 721.95
    n-pentane 376.91
    1-propoxy-2-propanol 1423.78
    1-methoxy-2-propyl acetate 1940.25
    2-(2-methoxypropoxy) propanol 794.93
    mesitylene 888.15
    ε-caprolactone 4047.94
    p-cymene 837.15
    epichlorohydrin 4161.51
    1,1,1-trichloroethane 4523.71
    2-aminoethanol 212.92
    morpholine-4-carbaldehyde 3416.76
    sulfolane 4848.36
    2,2,4-trimethylpentane 190.59
    2-methyltetrahydrofuran 4756.11
    n-hexyl acetate 1857.56
    isooctane 172.92
    2-(2-butoxyethoxy)ethanol 1081.14
    sec-butyl acetate 1000.24
    tert-butyl acetate 1791.39
    decalin 419.16
    glycerin 251.71
    diglyme 2422.42
    acrylic acid 675.59
    isopropyl myristate 778.17
    n-butyric acid 1588.13
    acetyl acetate 1503.68
    di(2-ethylhexyl) phthalate 559.28
    ethyl propionate 1197.88
    nitromethane 1984.35
    1,2-diethoxyethane 2149.14
    benzonitrile 2217.68
    trioctyl phosphate 460.4
    1-bromopropane 2238.54
    gamma-valerolactone 5949.65
    n-decanol 443.64
    triethyl phosphate 710.27
    4-methyl-2-pentanol 427.16
    propionitrile 1546.25
    vinylene carbonate 2244.93
    1,1,2-trichlorotrifluoroethane 1960.24
    DMS 1105.32
    cumene 483.72
    2-octanol 546.47
    2-hexanone 1593.69
    octyl acetate 897.82
    limonene 1646.04
    1,2-dimethoxyethane 2281.54
    ethyl orthosilicate 720.64
    tributyl phosphate 592.81
    diacetone alcohol 1283.62
    N,N-dimethylaniline 875.35
    acrylonitrile 1697.77
    aniline 1702.53
    1,3-propanediol 482.54
    bromobenzene 3662.09
    dibromomethane 3457.18
    1,1,2,2-tetrachloroethane 4496.9
    2-methyl-cyclohexyl acetate 1336.88
    tetrabutyl urea 816.18
    diisobutyl methanol 730.26
    2-phenylethanol 1169.85
    styrene 1290.49
    dioctyl adipate 920.93
    dimethyl sulfate 946.98
    ethyl butyrate 1973.43
    methyl lactate 488.85
    butyl lactate 850.26
    diethyl carbonate 1136.52
    propanediol butyl ether 712.85
    triethyl orthoformate 1352.78
    p-tert-butyltoluene 831.02
    methyl 4-tert-butylbenzoate 1070.51
    morpholine 4384.14
    tert-butylamine 783.3
    n-dodecanol 359.33
    dimethoxymethane 1679.5
    ethylene carbonate 2025.94
    cyrene 922.0
    2-ethoxyethyl acetate 1736.34
    2-ethylhexyl acetate 2021.87
    1,2,4-trichlorobenzene 2469.38
    4-methylpyridine 4673.73
    dibutyl ether 1645.19
    2,6-dimethyl-4-heptanol 730.26
    DEF 2478.53
    dimethyl isosorbide 1975.13
    tetrachloroethylene 2715.13
    eugenol 867.68
    triacetin 1311.89
    span 80 957.16
    1,4-butanediol 198.96
    1,1-dichloroethane 3560.08
    2-methyl-1-pentanol 536.83
    methyl formate 875.4
    2-methyl-1-butanol 734.65
    n-decane 297.31
    butyronitrile 1916.16
    3,7-dimethyl-1-octanol 723.08
    1-chlorooctane 896.01
    1-chlorotetradecane 361.4
    n-nonane 335.92
    undecane 199.83
    tert-butylcyclohexane 313.34
    cyclooctane 590.86
    cyclopentanol 1645.97
    tetrahydropyran 5655.03
    tert-amyl methyl ether 1317.49
    2,5,8-trioxanonane 1505.24
    1-hexene 954.62
    2-isopropoxyethanol 626.09
    2,2,2-trifluoroethanol 305.35
    methyl butyrate 1682.81

    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