Dithiaoctanediol

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  • Identifiers

    CAS number
    5244-34-8

    Molecular formula
    C6H14O2S2

    SMILES
    C(CSCCSCCO)O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sulfurous 75.71%
    Meaty 61.07%
    Savory 50.32%
    Onion 49.44%
    Garlic 44.17%
    Alliaceous 41.38%
    Roasted 38.4%
    Cooked 36.24%
    Mushroom 29.55%
    Sweet 29.22%

     

    Flavor
    Sulfurous 65.11%
    Onion 51.45%
    Meaty 42.59%
    Sulfury 42.24%
    Garlic 35.97%
    Roasted 31.98%
    Vegetable 30.43%
    Cabbage 28.67%
    Metallic 27.51%
    Burnt 27.16%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    5.84 (weak acid)

    Molecular weight
    182.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    392°C

    Flash point

    • 174.91 ˚C est.

  • Synonyms

    • 3,6-Dithia-1,8-octanediol
    • 5244-34-8
    • 1,2-Bis(2-hydroxyethylthio)ethane
    • dithiaoctanediol
    • Ethylenedithioethanol
    • Ethanol, 2,2'-[1,2-ethanediylbis(thio)]bis-
    • Ethanol, 2,2'-(ethylenedithio)di-
    • Ethanol, 2,2'-(1,2-ethanediylbis(thio))bis-
    • 2,2'-Ethylenedithiodiethanol
    • 3,6-dithiaoctan-1,8-diol
    • 1,10-Dioxa-4,7-dithiadecane
    • 1,8-Dihydroxy-3,6-dithiaoctane
    • KBC80263G6
    • 1,8-Dihydroxy-3,6-octanedithione
    • EINECS 226-045-8
    • 1,2-Bis(.beta.-hydroxyethylthio)ethane
    • DITHIOTRIETHYLENE GLYCOL
    • DTXSID9063740
    • 1,2-Bis(beta-hydroxyethylthio)ethane
    • DI(.BETA.-HYDROXYETHYL)ETHYLENE DISULFIDE
    • RefChem:589835
    • DITHIAOCTANEDIOL [INCI]
    • DTXCID5041196
    • DI(BETA-HYDROXYETHYL)ETHYLENE DISULFIDE
    • 3,6-Dithiaoctane-1,8-diol
    • 2-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]ethanol
    • 2,2-(Ethane-1,2-diylbis(sulfanediyl))diethanol
    • 2,2'-(Ethane-1,2-diylbis(sulfanediyl))diethanol
    • 2,2'-(Ethylenedithio)diethanol
    • MFCD00002911
    • 2-[2-(2-hydroxyethylthio)ethylthio]ethan-1-ol
    • UNII-KBC80263G6
    • ethylenedithiodiethanol
    • Lindlar Catalyst Poison
    • 3,6-dithia-1,8-octandiol
    • SCHEMBL195715
    • SCHEMBL11329658
    • PDHFSBXFZGYBIP-UHFFFAOYSA-
    • 2,2'-(ethylenedithio)-diethanol
    • 1,8-Dihydroxy-3,6-dithiooctane
    • 2-({2-[(2-hydroxyethyl)sulfanyl]ethyl}sulfanyl)ethan-1-ol
    • SBB059254
    • 3,6-Dithia-1,8-octane-1,8-diol
    • 3,6-Dithia-1,8-octanediol, 97%
    • AKOS001028090
    • FD40860
    • SB83867
    • NCGC00331376-01
    • AS-58449
    • Di(.beta.-Hydroxyethyl) ethylene disulfide
    • 2,2'-[1,2-Ethanediylbis(thio)]bisethanol
    • DB-022132
    • NS00013646
    • ST50308395
    • D95286
    • AB01325083-02
    • F323992
    • Q27282162
    • Z56799438
    • 2,2'-[Ethane-1,2-diylbis(sulfanediyl)]di(ethan-1-ol)
    • 2-((2-[(2-Hydroxyethyl)sulfanyl]ethyl)sulfanyl)ethanol #
    • 3,6-Dithia-1,8-octanediol;2,2`-(Ethylenedithio)diethanol
    • InChI=1/C6H14O2S2/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2
    • 5244-34-8

  • Applications

    Dithiaoctanediol (CAS 5244-34-8) is primarily used as an intermediate in organic synthesis. It can serve as a crosslinking building block for polymers and coatings (including epoxy resins, polyurethanes, and acrylate systems) and may act as a chelating ligand or stabilizer in certain metal-catalyzed processes. It can be used as a processing additive or plasticizer in plastics formulations, and as a precursor for sulfur-containing polymers or specialty adhesives. In electronics-related coatings, it may function as a resin modifier or crosslinking component in UV-curable systems. All applications depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 179.23
    methanol 328.87
    isopropanol 99.02
    water 2.85
    ethyl acetate 27.57
    n-propanol 141.79
    acetone 75.16
    n-butanol 101.42
    acetonitrile 25.22
    DMF 252.19
    toluene 13.25
    isobutanol 76.0
    1,4-dioxane 116.55
    methyl acetate 30.67
    THF 309.48
    2-butanone 48.58
    n-pentanol 59.06
    sec-butanol 68.06
    n-hexane 4.12
    ethylene glycol 114.2
    NMP 262.14
    cyclohexane 17.42
    DMSO 897.16
    n-butyl acetate 47.2
    n-octanol 32.89
    chloroform 68.86
    n-propyl acetate 37.69
    acetic acid 220.72
    dichloromethane 47.47
    cyclohexanone 183.36
    propylene glycol 127.59
    isopropyl acetate 19.41
    DMAc 123.78
    2-ethoxyethanol 149.63
    isopentanol 61.35
    n-heptane 10.25
    ethyl formate 46.85
    1,2-dichloroethane 47.18
    n-hexanol 65.27
    2-methoxyethanol 283.26
    isobutyl acetate 23.83
    tetrachloromethane 19.67
    n-pentyl acetate 35.27
    transcutol 320.56
    n-heptanol 38.48
    ethylbenzene 7.89
    MIBK 24.59
    2-propoxyethanol 135.08
    tert-butanol 103.43
    MTBE 22.56
    2-butoxyethanol 91.3
    propionic acid 124.79
    o-xylene 13.32
    formic acid 151.37
    diethyl ether 24.49
    m-xylene 12.0
    p-xylene 9.93
    chlorobenzene 24.25
    dimethyl carbonate 17.04
    n-octane 3.38
    formamide 186.61
    cyclopentanone 243.49
    2-pentanone 41.41
    anisole 25.55
    cyclopentyl methyl ether 94.03
    gamma-butyrolactone 257.62
    1-methoxy-2-propanol 172.02
    pyridine 97.47
    3-pentanone 29.39
    furfural 230.01
    n-dodecane 2.33
    diethylene glycol 143.65
    diisopropyl ether 7.8
    tert-amyl alcohol 67.51
    acetylacetone 52.13
    n-hexadecane 2.6
    acetophenone 40.62
    methyl propionate 35.39
    isopentyl acetate 37.45
    trichloroethylene 94.43
    n-nonanol 29.32
    cyclohexanol 118.63
    benzyl alcohol 50.22
    2-ethylhexanol 37.41
    isooctanol 28.83
    dipropyl ether 37.28
    1,2-dichlorobenzene 30.37
    ethyl lactate 41.77
    propylene carbonate 101.38
    n-methylformamide 157.86
    2-pentanol 46.86
    n-pentane 5.19
    1-propoxy-2-propanol 106.91
    1-methoxy-2-propyl acetate 52.08
    2-(2-methoxypropoxy) propanol 75.88
    mesitylene 10.23
    ε-caprolactone 134.87
    p-cymene 15.08
    epichlorohydrin 148.16
    1,1,1-trichloroethane 36.04
    2-aminoethanol 187.64
    morpholine-4-carbaldehyde 229.9
    sulfolane 465.39
    2,2,4-trimethylpentane 2.69
    2-methyltetrahydrofuran 127.91
    n-hexyl acetate 42.38
    isooctane 2.17
    2-(2-butoxyethoxy)ethanol 111.37
    sec-butyl acetate 19.4
    tert-butyl acetate 29.2
    decalin 4.96
    glycerin 224.12
    diglyme 200.6
    acrylic acid 133.76
    isopropyl myristate 17.36
    n-butyric acid 134.09
    acetyl acetate 22.77
    di(2-ethylhexyl) phthalate 28.36
    ethyl propionate 24.24
    nitromethane 159.05
    1,2-diethoxyethane 55.51
    benzonitrile 42.39
    trioctyl phosphate 22.73
    1-bromopropane 20.39
    gamma-valerolactone 282.68
    n-decanol 20.93
    triethyl phosphate 28.33
    4-methyl-2-pentanol 20.32
    propionitrile 31.67
    vinylene carbonate 92.79
    1,1,2-trichlorotrifluoroethane 249.0
    DMS 28.89
    cumene 8.12
    2-octanol 21.97
    2-hexanone 36.41
    octyl acetate 23.84
    limonene 25.56
    1,2-dimethoxyethane 143.56
    ethyl orthosilicate 27.92
    tributyl phosphate 26.15
    diacetone alcohol 68.13
    N,N-dimethylaniline 25.48
    acrylonitrile 51.23
    aniline 47.21
    1,3-propanediol 188.06
    bromobenzene 18.06
    dibromomethane 35.45
    1,1,2,2-tetrachloroethane 103.03
    2-methyl-cyclohexyl acetate 45.56
    tetrabutyl urea 41.26
    diisobutyl methanol 22.82
    2-phenylethanol 52.09
    styrene 10.44
    dioctyl adipate 37.84
    dimethyl sulfate 51.45
    ethyl butyrate 38.56
    methyl lactate 55.45
    butyl lactate 56.48
    diethyl carbonate 26.1
    propanediol butyl ether 102.75
    triethyl orthoformate 39.62
    p-tert-butyltoluene 15.78
    methyl 4-tert-butylbenzoate 56.99
    morpholine 204.86
    tert-butylamine 48.92
    n-dodecanol 15.77
    dimethoxymethane 77.68
    ethylene carbonate 72.33
    cyrene 103.83
    2-ethoxyethyl acetate 46.37
    2-ethylhexyl acetate 30.68
    1,2,4-trichlorobenzene 42.08
    4-methylpyridine 54.56
    dibutyl ether 26.84
    2,6-dimethyl-4-heptanol 22.82
    DEF 68.96
    dimethyl isosorbide 131.18
    tetrachloroethylene 91.91
    eugenol 69.88
    triacetin 58.26
    span 80 92.11
    1,4-butanediol 70.63
    1,1-dichloroethane 26.6
    2-methyl-1-pentanol 36.81
    methyl formate 83.93
    2-methyl-1-butanol 58.15
    n-decane 4.1
    butyronitrile 34.47
    3,7-dimethyl-1-octanol 27.68
    1-chlorooctane 15.04
    1-chlorotetradecane 5.88
    n-nonane 4.1
    undecane 2.93
    tert-butylcyclohexane 4.04
    cyclooctane 5.63
    cyclopentanol 163.08
    tetrahydropyran 122.75
    tert-amyl methyl ether 22.35
    2,5,8-trioxanonane 148.1
    1-hexene 10.86
    2-isopropoxyethanol 80.61
    2,2,2-trifluoroethanol 86.95
    methyl butyrate 42.44

    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