1,2-Ethanedithiol

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  • Identifiers

    CAS number
    540-63-6

    Molecular formula
    C2H6S2

    SMILES
    C(CS)S

    Safety labels

    Flammable
    Flammable

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 86.42%
    Meaty 70.99%
    Onion 66.2%
    Garlic 63.59%
    Roasted 48.75%
    Savory 47.12%
    Alliaceous 46.47%
    Cooked 39.8%
    Beefy 34.46%
    Burnt 33.26%

     

    Flavor
    Sulfurous 53.75%
    Sulfury 48.56%
    Meaty 46.49%
    Onion 40.39%
    Garlic 34.86%
    Fishy 33.46%
    Roasted 31.23%
    Sulfur 25.56%
    Egg 25.11%
    Burnt 23.11%

     

    Odor impact est.
    High

    Odor threshold

    • Odor Threshold Low: 0.03 [mmHg]. Odor Threshold High: 5.6 [mmHg]. Odor threshold (low = very faint, high = easily noticable) from CHEMINFO
    • Its odor is very faint at 31 ppb and easily noticeable at 5.6 ppm.

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    9.61 (weak base)

    Molecular weight
    94.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -41.2 °C

    Boiling point

    • 146 °C at 760 mm Hg
    • 144.00 to 146.00 °C. @ 760.00 mm Hg

    Flash point

    • 37.41 ˚C est.

    Solubility expt.

    • Freely soluble in alkalies
    • Soluble in ethanol, ether, acetone, and benzene; slightly soluble in alkali.
    • Soluble in oxygenated solvents
    • insoluble in water; miscible in fat

  • Synonyms

    • 1,2-ETHANEDITHIOL
    • 540-63-6
    • Ethane-1,2-dithiol
    • 1,2-Dimercaptoethane
    • Dithioglycol
    • Ethylene mercaptan
    • Ethylenedithiol
    • Ethylene dithioglycol
    • 1,2-Ethanethiol
    • Ethylenedimercaptan
    • Dithioethyleneglycol
    • S-Ethylene dimercaptan
    • Ethylene dimercaptan
    • Ethylene glycol, dithio-
    • 1,2-Dithiol ethane
    • Ethyl hydropersulfide
    • FEMA No. 3484
    • 1,2-Dithiolethane
    • Dithioethylene glycol
    • Ethane-1.2-dithiol
    • NSC 60481
    • Ethanedithiol, 1,2-
    • HSDB 2828
    • EINECS 208-752-3
    • UNII-92T634FLAR
    • 1,2-ethylenedithiol
    • BRN 0505946
    • 92T634FLAR
    • a-Ethylene dimercaptan
    • AI3-28942
    • NSC-60481
    • 2-MERCAPTOETHANETHIOL
    • DTXSID9052187
    • 1,2-ETHANEDITHIOL [MI]
    • 1,2-ETHANEDITHIOL [FHFI]
    • 1,2-ETHANEDITHIOL [HSDB]
    • 4-01-00-02450 (Beilstein Handbook Reference)
    • MFCD00004892
    • 1,2Ethanethiol
    • 1,2-ethandithiol
    • 6LN
    • 1,2Dithiol ethane
    • bismuth ethanedithiol
    • 1,2Dimercaptoethane
    • SEthylene dimercaptan
    • ethane 1,2-dithiol
    • ethane-1 2-dithiol
    • 1,2-Ethane dithiol
    • Dithio-Ethylene glycol
    • ethane-1, 2-dithiol
    • ethane-1,2,-dithiol
    • Ethylene glycol, dithio
    • alpha-Ethylene dimercaptan
    • WLN: SH2SH
    • DTXCID9030757
    • FEMA 3484
    • NSC60481
    • 1,2-Ethanedithiol Ethylene mercaptan
    • BBL011363
    • STL146457
    • AKOS000120425
    • 1,2-Ethanedithiol, analytical standard
    • FE00131
    • 1,2-Ethanedithiol, >=98.0% (GC)
    • BP-31021
    • BP-31166
    • DB-003156
    • NS00022338
    • 1,2-Ethanedithiol, technical grade, >=90%
    • EN300-20350
    • D78347
    • M03555
    • A829937
    • Q2738870
    • F0001-1413

  • Applications

    1,2-Ethanedithiol (CAS 540-63-6) is a bifunctional thiol used as a curing agent and crosslinker for epoxy resins and as a chain extender in polyurethane and related polymers to improve mechanical properties. It also serves in surface chemistry and electronics as a linker to form self-assembled monolayers on gold and other substrates, enabling surface modification for sensors and electronic interfaces. In organic synthesis, it is used to generate dithiane protecting groups for carbonyl compounds, protecting aldehydes and ketones during complex syntheses. Additionally, it can act as a ligand or intermediate to form metal complexes with metal ions, supporting catalysis and materials applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 26.83
    methanol 34.01
    isopropanol 18.04
    water 0.63
    ethyl acetate 22.51
    n-propanol 25.73
    acetone 34.77
    n-butanol 25.41
    acetonitrile 21.22
    DMF 47.1
    toluene 10.26
    isobutanol 16.08
    1,4-dioxane 51.28
    methyl acetate 23.8
    THF 86.93
    2-butanone 30.38
    n-pentanol 19.09
    sec-butanol 19.83
    n-hexane 5.35
    ethylene glycol 11.95
    NMP 64.55
    cyclohexane 10.69
    DMSO 77.84
    n-butyl acetate 38.13
    n-octanol 16.26
    chloroform 67.8
    n-propyl acetate 19.93
    acetic acid 49.0
    dichloromethane 51.73
    cyclohexanone 53.15
    propylene glycol 13.7
    isopropyl acetate 14.37
    DMAc 38.75
    2-ethoxyethanol 30.55
    isopentanol 18.07
    n-heptane 12.63
    ethyl formate 19.83
    1,2-dichloroethane 32.25
    n-hexanol 30.86
    2-methoxyethanol 44.97
    isobutyl acetate 13.74
    tetrachloromethane 21.61
    n-pentyl acetate 22.67
    transcutol 93.78
    n-heptanol 20.27
    ethylbenzene 6.69
    MIBK 13.13
    2-propoxyethanol 44.91
    tert-butanol 21.14
    MTBE 14.92
    2-butoxyethanol 34.57
    propionic acid 29.47
    o-xylene 8.57
    formic acid 16.06
    diethyl ether 23.27
    m-xylene 6.67
    p-xylene 9.74
    chlorobenzene 20.83
    dimethyl carbonate 8.98
    n-octane 4.76
    formamide 21.71
    cyclopentanone 72.3
    2-pentanone 23.46
    anisole 16.47
    cyclopentyl methyl ether 32.14
    gamma-butyrolactone 66.74
    1-methoxy-2-propanol 31.61
    pyridine 49.8
    3-pentanone 20.69
    furfural 67.8
    n-dodecane 3.09
    diethylene glycol 35.18
    diisopropyl ether 6.83
    tert-amyl alcohol 19.65
    acetylacetone 29.23
    n-hexadecane 3.29
    acetophenone 20.26
    methyl propionate 18.36
    isopentyl acetate 25.5
    trichloroethylene 64.69
    n-nonanol 15.67
    cyclohexanol 24.13
    benzyl alcohol 18.46
    2-ethylhexanol 24.16
    isooctanol 16.24
    dipropyl ether 31.36
    1,2-dichlorobenzene 20.51
    ethyl lactate 13.2
    propylene carbonate 34.95
    n-methylformamide 25.28
    2-pentanol 16.19
    n-pentane 6.27
    1-propoxy-2-propanol 40.49
    1-methoxy-2-propyl acetate 26.43
    2-(2-methoxypropoxy) propanol 29.79
    mesitylene 5.1
    ε-caprolactone 41.56
    p-cymene 12.07
    epichlorohydrin 50.64
    1,1,1-trichloroethane 31.96
    2-aminoethanol 20.26
    morpholine-4-carbaldehyde 58.05
    sulfolane 88.13
    2,2,4-trimethylpentane 2.67
    2-methyltetrahydrofuran 50.22
    n-hexyl acetate 22.57
    isooctane 1.86
    2-(2-butoxyethoxy)ethanol 40.8
    sec-butyl acetate 12.39
    tert-butyl acetate 16.42
    decalin 4.15
    glycerin 22.83
    diglyme 71.54
    acrylic acid 29.76
    isopropyl myristate 12.63
    n-butyric acid 35.72
    acetyl acetate 19.57
    di(2-ethylhexyl) phthalate 14.25
    ethyl propionate 15.46
    nitromethane 46.9
    1,2-diethoxyethane 38.15
    benzonitrile 22.61
    trioctyl phosphate 11.27
    1-bromopropane 24.83
    gamma-valerolactone 67.68
    n-decanol 12.07
    triethyl phosphate 16.13
    4-methyl-2-pentanol 9.0
    propionitrile 21.78
    vinylene carbonate 30.31
    1,1,2-trichlorotrifluoroethane 57.08
    DMS 16.36
    cumene 6.49
    2-octanol 12.83
    2-hexanone 22.88
    octyl acetate 15.77
    limonene 18.82
    1,2-dimethoxyethane 44.36
    ethyl orthosilicate 17.25
    tributyl phosphate 13.16
    diacetone alcohol 23.9
    N,N-dimethylaniline 14.4
    acrylonitrile 27.5
    aniline 20.83
    1,3-propanediol 24.02
    bromobenzene 18.58
    dibromomethane 40.86
    1,1,2,2-tetrachloroethane 52.37
    2-methyl-cyclohexyl acetate 23.79
    tetrabutyl urea 19.19
    diisobutyl methanol 14.2
    2-phenylethanol 25.2
    styrene 9.39
    dioctyl adipate 20.19
    dimethyl sulfate 17.67
    ethyl butyrate 29.28
    methyl lactate 16.03
    butyl lactate 20.38
    diethyl carbonate 17.65
    propanediol butyl ether 25.87
    triethyl orthoformate 23.98
    p-tert-butyltoluene 12.06
    methyl 4-tert-butylbenzoate 24.65
    morpholine 51.81
    tert-butylamine 14.65
    n-dodecanol 10.04
    dimethoxymethane 25.82
    ethylene carbonate 23.66
    cyrene 30.3
    2-ethoxyethyl acetate 25.36
    2-ethylhexyl acetate 24.29
    1,2,4-trichlorobenzene 27.21
    4-methylpyridine 31.58
    dibutyl ether 21.4
    2,6-dimethyl-4-heptanol 14.2
    DEF 29.53
    dimethyl isosorbide 54.06
    tetrachloroethylene 45.53
    eugenol 26.43
    triacetin 26.47
    span 80 33.91
    1,4-butanediol 11.65
    1,1-dichloroethane 26.71
    2-methyl-1-pentanol 15.58
    methyl formate 20.1
    2-methyl-1-butanol 18.34
    n-decane 4.95
    butyronitrile 22.6
    3,7-dimethyl-1-octanol 15.09
    1-chlorooctane 11.88
    1-chlorotetradecane 5.9
    n-nonane 4.97
    undecane 3.73
    tert-butylcyclohexane 3.86
    cyclooctane 4.2
    cyclopentanol 31.54
    tetrahydropyran 47.76
    tert-amyl methyl ether 13.95
    2,5,8-trioxanonane 56.07
    1-hexene 12.66
    2-isopropoxyethanol 22.31
    2,2,2-trifluoroethanol 19.93
    methyl butyrate 21.89

    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