2,2'-Dithiodiethanesulfonic acid

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  • Identifiers

    CAS number
    45127-11-5

    Molecular formula
    C4H10O6S4

    SMILES
    C(CS(=O)(=O)O)SSCCS(=O)(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 59.61%
    Sulfurous 48.17%
    Onion 37.56%
    Savory 36.21%
    Roasted 35.3%
    Cooked 34.0%
    Garlic 32.77%
    Meaty 29.24%
    Alliaceous 28.4%
    Pungent 23.87%

     

    Flavor
    Bitter 80.23%
    Bland 29.59%
    Odorless 25.39%
    Nitrile 19.97%
    Scallion 19.1%
    Taco 19.0%
    Cedarleaf 18.9%
    Formyl 18.85%
    Rotten 18.51%
    Bread crust 18.48%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.3

    pKa est.
    7.12 (neutral)

    Molecular weight
    282.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    732°C

    Flash point

    • 273.0 ˚C est.

  • Synonyms

    • 45127-11-5
    • 2,2'-Dithiodiethanesulfonic acid
    • Bis(2-sulfoethyl)disulfide
    • Ethanesulfonic acid, 2,2'-dithiobis-
    • 6Q2L2H0POF
    • omega,omega'-Ethanedisulfidedisulfonic acid
    • DTXSID40196395
    • RefChem:80735
    • DTXCID50118886
    • 2,2'-dithiodiethanesulfonic acid, disodium salt
    • 2,2'-disulfanediyldiethanesulfonic acid
    • Coenzyme
    • 2-(2-sulfoethyldisulfanyl)ethanesulfonic acid
    • (2,2-(disulfane diyl)bis(ethanesulphonic acid)
    • Mesna EP Impurity D
    • MFCD00869318
    • Mesna impurity D
    • C4H10O6S4
    • UNII-6Q2L2H0POF
    • 2,2'-Dithidi-1-ethanesulfonic acid
    • Coenzyme M disulfide
    • Dimesna (free acid)
    • Mesna impurity D CRS
    • DIMESNA FREE ACID
    • (S-CoM)2
    • SCHEMBL773704
    • 2-[(2-Sulfoethyl)disulfanyl]ethane-1-sulfonic acid
    • orb2665550
    • CHEMBL2009034
    • HY-B1022A
    • VBA12711
    • 2,2'-dithiobis ethane sulfonic acid
    • AKOS016002982
    • MESNA IMPURITY D [EP IMPURITY]
    • DB-070629
    • 2,2'-Disulfanediyldi(ethane-1-sulfonic acid)
    • C19637
    • H53298
    • BRD-K30126819-304-02-7
    • BRD-K30126819-304-03-5
    • Q27265315
    • .OMEGA.,.OMEGA.'-ETHANEDISULFIDEDISULFONIC ACID
    • 45127-11-5

  • Applications

    2,2'-Dithiodiethanesulfonic acid (CAS 45127-11-5) is a sulfonic acid-containing disulfide building block used primarily as an intermediate for the synthesis of sulfonated compounds and sulfonated polymers. In the plastics and polymer industry, it is commonly employed as a precursor to sulfonated monomers or derivatives for applications such as ion-exchange resins and proton-exchange membranes. The disulfide linkage also makes it suitable as a reversible crosslinking building block in coatings and adhesives, enabling redox-responsive property tuning. With its two sulfonic groups, it can serve as a sulfonate source for introducing sulfonic functionality into organic substrates during sulfonation-type transformations and may be used in formulation work for water-treatment additives or polymer dispersants, depending on formulation and processing conditions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.38
    methanol 7.13
    isopropanol 0.92
    water 1.34
    ethyl acetate 1.86
    n-propanol 0.94
    acetone 9.58
    n-butanol 0.56
    acetonitrile 2.24
    DMF 123.13
    toluene 0.48
    isobutanol 0.48
    1,4-dioxane 5.65
    methyl acetate 3.5
    THF 11.23
    2-butanone 4.39
    n-pentanol 0.44
    sec-butanol 0.76
    n-hexane 0.08
    ethylene glycol 3.19
    NMP 133.31
    cyclohexane 0.26
    DMSO 138.34
    n-butyl acetate 2.24
    n-octanol 0.99
    chloroform 0.45
    n-propyl acetate 1.54
    acetic acid 6.56
    dichloromethane 0.98
    cyclohexanone 7.47
    propylene glycol 2.26
    isopropyl acetate 1.51
    DMAc 89.79
    2-ethoxyethanol 7.42
    isopentanol 0.48
    n-heptane 0.2
    ethyl formate 3.12
    1,2-dichloroethane 1.23
    n-hexanol 0.68
    2-methoxyethanol 21.58
    isobutyl acetate 0.53
    tetrachloromethane 0.1
    n-pentyl acetate 1.47
    transcutol 22.67
    n-heptanol 0.72
    ethylbenzene 0.41
    MIBK 1.51
    2-propoxyethanol 6.22
    tert-butanol 1.38
    MTBE 1.07
    2-butoxyethanol 3.56
    propionic acid 2.71
    o-xylene 1.0
    formic acid 15.05
    diethyl ether 1.03
    m-xylene 0.42
    p-xylene 0.49
    chlorobenzene 0.43
    dimethyl carbonate 4.69
    n-octane 0.09
    formamide 43.14
    cyclopentanone 15.95
    2-pentanone 2.67
    anisole 2.62
    cyclopentyl methyl ether 3.1
    gamma-butyrolactone 19.4
    1-methoxy-2-propanol 10.64
    pyridine 4.78
    3-pentanone 2.78
    furfural 30.34
    n-dodecane 0.08
    diethylene glycol 10.34
    diisopropyl ether 0.39
    tert-amyl alcohol 1.45
    acetylacetone 9.67
    n-hexadecane 0.09
    acetophenone 5.71
    methyl propionate 3.67
    isopentyl acetate 1.74
    trichloroethylene 1.76
    n-nonanol 1.0
    cyclohexanol 0.87
    benzyl alcohol 2.04
    2-ethylhexanol 0.64
    isooctanol 0.52
    dipropyl ether 1.38
    1,2-dichlorobenzene 0.8
    ethyl lactate 3.11
    propylene carbonate 7.24
    n-methylformamide 25.48
    2-pentanol 0.4
    n-pentane 0.07
    1-propoxy-2-propanol 4.72
    1-methoxy-2-propyl acetate 5.8
    2-(2-methoxypropoxy) propanol 10.06
    mesitylene 0.43
    ε-caprolactone 7.0
    p-cymene 0.7
    epichlorohydrin 8.2
    1,1,1-trichloroethane 0.34
    2-aminoethanol 4.06
    morpholine-4-carbaldehyde 70.76
    sulfolane 69.91
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 3.73
    n-hexyl acetate 2.17
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 8.95
    sec-butyl acetate 0.93
    tert-butyl acetate 2.39
    decalin 0.14
    glycerin 10.42
    diglyme 22.57
    acrylic acid 4.73
    isopropyl myristate 1.08
    n-butyric acid 2.17
    acetyl acetate 2.48
    di(2-ethylhexyl) phthalate 2.02
    ethyl propionate 1.76
    nitromethane 28.59
    1,2-diethoxyethane 3.11
    benzonitrile 1.61
    trioctyl phosphate 1.3
    1-bromopropane 0.3
    gamma-valerolactone 32.79
    n-decanol 0.76
    triethyl phosphate 2.72
    4-methyl-2-pentanol 0.3
    propionitrile 0.88
    vinylene carbonate 6.42
    1,1,2-trichlorotrifluoroethane 13.65
    DMS 4.06
    cumene 0.37
    2-octanol 0.49
    2-hexanone 1.76
    octyl acetate 1.53
    limonene 1.1
    1,2-dimethoxyethane 18.68
    ethyl orthosilicate 2.16
    tributyl phosphate 1.69
    diacetone alcohol 5.78
    N,N-dimethylaniline 3.87
    acrylonitrile 2.34
    aniline 1.65
    1,3-propanediol 3.34
    bromobenzene 0.33
    dibromomethane 0.48
    1,1,2,2-tetrachloroethane 1.77
    2-methyl-cyclohexyl acetate 2.91
    tetrabutyl urea 5.17
    diisobutyl methanol 0.55
    2-phenylethanol 2.17
    styrene 0.51
    dioctyl adipate 2.75
    dimethyl sulfate 19.77
    ethyl butyrate 2.58
    methyl lactate 7.96
    butyl lactate 3.06
    diethyl carbonate 2.16
    propanediol butyl ether 4.65
    triethyl orthoformate 2.72
    p-tert-butyltoluene 0.67
    methyl 4-tert-butylbenzoate 7.24
    morpholine 8.25
    tert-butylamine 0.68
    n-dodecanol 0.58
    dimethoxymethane 19.9
    ethylene carbonate 3.65
    cyrene 16.92
    2-ethoxyethyl acetate 3.38
    2-ethylhexyl acetate 1.44
    1,2,4-trichlorobenzene 1.18
    4-methylpyridine 3.81
    dibutyl ether 0.99
    2,6-dimethyl-4-heptanol 0.55
    DEF 11.69
    dimethyl isosorbide 22.17
    tetrachloroethylene 1.27
    eugenol 7.81
    triacetin 6.23
    span 80 5.41
    1,4-butanediol 1.18
    1,1-dichloroethane 0.31
    2-methyl-1-pentanol 0.41
    methyl formate 17.38
    2-methyl-1-butanol 0.53
    n-decane 0.13
    butyronitrile 0.7
    3,7-dimethyl-1-octanol 0.86
    1-chlorooctane 0.4
    1-chlorotetradecane 0.2
    n-nonane 0.12
    undecane 0.1
    tert-butylcyclohexane 0.09
    cyclooctane 0.14
    cyclopentanol 1.58
    tetrahydropyran 1.71
    tert-amyl methyl ether 1.43
    2,5,8-trioxanonane 19.53
    1-hexene 0.18
    2-isopropoxyethanol 3.01
    2,2,2-trifluoroethanol 5.48
    methyl butyrate 2.78

    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