Ethane-1,1-dithiol

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  • Identifiers

    CAS number
    26914-40-9

    Molecular formula
    C2H6S2

    SMILES
    CC(S)S

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 83.45%
    Meaty 82.94%
    Onion 71.9%
    Roasted 65.91%
    Garlic 59.23%
    Savory 58.08%
    Alliaceous 51.91%
    Cooked 45.5%
    Burnt 43.68%
    Coffee 37.94%

     

    Flavor
    Sulfurous 54.74%
    Onion 44.26%
    Meaty 44.08%
    Sulfury 39.3%
    Garlic 33.31%
    Pungent 25.52%
    Roasted 25.5%
    Fishy 25.3%
    Sulfur 24.57%
    Egg 23.65%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    7.35 (neutral)

    Molecular weight
    94.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    110°C

    Flash point

    • 5.68 ˚C est.

    Solubility expt.

    • Soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • ethane-1,1-dithiol
    • ETHANEDITHIOL
    • 1,1-Ethanedithiol
    • FEMA No. 4111
    • 26914-40-9
    • 69382-62-3
    • 6E52Q3WL23
    • ethane dithiol
    • UNII-6E52Q3WL23
    • Ethane-1,1-dithiol [FIFH]
    • EINECS 248-103-1
    • DTXSID10989195
    • ETHANE-1,1-DITHIOL [FHFI]
    • NS00051287
    • Q4545644

  • Applications

    Ethane-1,1-dithiol (CAS 26914-40-9) is a sulfur-containing reagent used in organic synthesis as a precursor for thioacetal (dithioacetal) protection of aldehydes and related carbonyls. It also acts as a difunctional thiol crosslinker or chain extender in polymer, coating, and adhesive formulations, enabling thiol-ene and thiol-epoxy network formation. In materials and electronics, it may be employed for surface modification or as a ligand/chelating agent for metal complexes, supporting catalysis and sensor applications. As a reactive sulfur source, it is often evaluated for synthesis of more complex sulfur-containing ligands and intermediates used in organometallic chemistry. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 321.02
    methanol 333.3
    isopropanol 252.5
    water 15.59
    ethyl acetate 183.37
    n-propanol 262.07
    acetone 319.54
    n-butanol 270.7
    acetonitrile 162.75
    DMF 324.67
    toluene 92.78
    isobutanol 182.89
    1,4-dioxane 322.82
    methyl acetate 184.12
    THF 517.12
    2-butanone 269.49
    n-pentanol 177.36
    sec-butanol 236.29
    n-hexane 52.22
    ethylene glycol 162.11
    NMP 316.95
    cyclohexane 65.76
    DMSO 262.02
    n-butyl acetate 202.88
    n-octanol 174.13
    chloroform 279.41
    n-propyl acetate 127.45
    acetic acid 323.43
    dichloromethane 187.32
    cyclohexanone 266.63
    propylene glycol 215.22
    isopropyl acetate 139.94
    DMAc 305.59
    2-ethoxyethanol 240.25
    isopentanol 184.51
    n-heptane 85.07
    ethyl formate 120.25
    1,2-dichloroethane 127.9
    n-hexanol 297.66
    2-methoxyethanol 400.67
    isobutyl acetate 102.13
    tetrachloromethane 95.03
    n-pentyl acetate 131.72
    transcutol 486.74
    n-heptanol 175.32
    ethylbenzene 48.63
    MIBK 144.75
    2-propoxyethanol 400.42
    tert-butanol 272.92
    MTBE 210.52
    2-butoxyethanol 255.81
    propionic acid 217.22
    o-xylene 77.02
    formic acid 127.31
    diethyl ether 213.38
    m-xylene 76.45
    p-xylene 66.73
    chlorobenzene 101.28
    dimethyl carbonate 91.26
    n-octane 31.83
    formamide 123.59
    cyclopentanone 333.57
    2-pentanone 237.67
    anisole 124.24
    cyclopentyl methyl ether 261.32
    gamma-butyrolactone 266.78
    1-methoxy-2-propanol 339.6
    pyridine 194.9
    3-pentanone 191.33
    furfural 250.81
    n-dodecane 27.54
    diethylene glycol 308.17
    diisopropyl ether 90.46
    tert-amyl alcohol 236.02
    acetylacetone 209.29
    n-hexadecane 28.63
    acetophenone 115.58
    methyl propionate 163.33
    isopentyl acetate 162.69
    trichloroethylene 222.95
    n-nonanol 154.0
    cyclohexanol 220.93
    benzyl alcohol 108.62
    2-ethylhexanol 170.66
    isooctanol 122.7
    dipropyl ether 205.79
    1,2-dichlorobenzene 88.37
    ethyl lactate 103.92
    propylene carbonate 167.74
    n-methylformamide 174.72
    2-pentanol 198.45
    n-pentane 68.0
    1-propoxy-2-propanol 345.5
    1-methoxy-2-propyl acetate 194.09
    2-(2-methoxypropoxy) propanol 214.77
    mesitylene 54.34
    ε-caprolactone 213.12
    p-cymene 70.6
    epichlorohydrin 249.39
    1,1,1-trichloroethane 189.25
    2-aminoethanol 228.21
    morpholine-4-carbaldehyde 309.92
    sulfolane 290.7
    2,2,4-trimethylpentane 36.39
    2-methyltetrahydrofuran 322.28
    n-hexyl acetate 177.8
    isooctane 31.13
    2-(2-butoxyethoxy)ethanol 280.75
    sec-butyl acetate 101.19
    tert-butyl acetate 165.92
    decalin 29.45
    glycerin 257.18
    diglyme 392.39
    acrylic acid 199.48
    isopropyl myristate 93.63
    n-butyric acid 260.57
    acetyl acetate 140.84
    di(2-ethylhexyl) phthalate 94.19
    ethyl propionate 118.93
    nitromethane 255.67
    1,2-diethoxyethane 196.36
    benzonitrile 110.06
    trioctyl phosphate 78.44
    1-bromopropane 123.13
    gamma-valerolactone 325.63
    n-decanol 123.07
    triethyl phosphate 81.65
    4-methyl-2-pentanol 115.82
    propionitrile 145.28
    vinylene carbonate 134.45
    1,1,2-trichlorotrifluoroethane 249.96
    DMS 110.99
    cumene 43.42
    2-octanol 118.22
    2-hexanone 164.17
    octyl acetate 125.43
    limonene 114.74
    1,2-dimethoxyethane 283.44
    ethyl orthosilicate 86.63
    tributyl phosphate 84.48
    diacetone alcohol 225.45
    N,N-dimethylaniline 99.07
    acrylonitrile 145.05
    aniline 146.86
    1,3-propanediol 258.13
    bromobenzene 84.2
    dibromomethane 154.94
    1,1,2,2-tetrachloroethane 204.25
    2-methyl-cyclohexyl acetate 127.95
    tetrabutyl urea 114.62
    diisobutyl methanol 99.88
    2-phenylethanol 154.49
    styrene 63.21
    dioctyl adipate 119.01
    dimethyl sulfate 115.97
    ethyl butyrate 147.36
    methyl lactate 145.81
    butyl lactate 134.81
    diethyl carbonate 95.86
    propanediol butyl ether 252.64
    triethyl orthoformate 126.86
    p-tert-butyltoluene 79.97
    methyl 4-tert-butylbenzoate 155.65
    morpholine 360.57
    tert-butylamine 187.71
    n-dodecanol 103.23
    dimethoxymethane 228.71
    ethylene carbonate 124.79
    cyrene 169.96
    2-ethoxyethyl acetate 149.3
    2-ethylhexyl acetate 137.93
    1,2,4-trichlorobenzene 119.16
    4-methylpyridine 172.02
    dibutyl ether 141.51
    2,6-dimethyl-4-heptanol 99.88
    DEF 211.97
    dimethyl isosorbide 265.04
    tetrachloroethylene 152.93
    eugenol 166.33
    triacetin 165.74
    span 80 238.09
    1,4-butanediol 131.67
    1,1-dichloroethane 177.99
    2-methyl-1-pentanol 134.68
    methyl formate 128.31
    2-methyl-1-butanol 182.68
    n-decane 42.1
    butyronitrile 155.79
    3,7-dimethyl-1-octanol 139.47
    1-chlorooctane 93.35
    1-chlorotetradecane 49.26
    n-nonane 42.61
    undecane 32.58
    tert-butylcyclohexane 34.33
    cyclooctane 31.25
    cyclopentanol 262.14
    tetrahydropyran 306.07
    tert-amyl methyl ether 179.0
    2,5,8-trioxanonane 313.01
    1-hexene 109.27
    2-isopropoxyethanol 185.56
    2,2,2-trifluoroethanol 137.8
    methyl butyrate 137.98

    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