Ethanesulfonic acid

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  • Identifiers

    CAS number
    594-45-6

    Molecular formula
    C2H6O3S

    SMILES
    CCS(=O)(=O)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 77.31%
    Sulfurous 34.49%
    Roasted 24.94%
    Cooked 22.56%
    Savory 21.82%
    Pungent 21.23%
    Meaty 17.45%
    Onion 17.15%
    Sour 16.65%
    Cheesy 16.62%

     

    Flavor
    Bitter 65.93%
    Odorless 29.3%
    Bland 25.91%
    Sulfur 23.71%
    Formyl 21.73%
    Mustard 21.61%
    Pungent 20.8%
    Nitrile 20.23%
    Mousy 20.2%
    Rotten 19.86%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    -0.5

    pKa est.
    10.08 (weak base)

    Molecular weight
    110.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    308°C

    Flash point

    • 121.18 ˚C est.

  • Synonyms

    • Ethanesulfonic acid
    • 594-45-6
    • Ethylsulfonic Acid
    • Ethanesulphonic acid
    • ethane sulphonic acid
    • 1-ethanesulfonic acid
    • ethylsulphonic acid
    • 2-ethanesulfonic acid
    • 599310E3U2
    • DTXSID5060487
    • CHEBI:42465
    • RefChem:591753
    • DTXCID4042622
    • 209-843-0
    • InChI=1/C2H6O3S/c1-2-6(3,4)5/h2H2,1H3,(H,3,4,5
    • Ethane sulfonate
    • ethane sulfonic acid
    • MFCD00007529
    • ethansulfonic acid
    • ethansulphonic acid
    • UNII-599310E3U2
    • EINECS 209-843-0
    • methylmethane sulfonic acid
    • Ethanesulfonic acid, 95%
    • SCHEMBL1904
    • SCHEMBL4865
    • SCHEMBL21772
    • SCHEMBL21773
    • SCHEMBL126970
    • Ethanesulfonic acid 70% water
    • SCHEMBL5683179
    • ETHANE SULFONATE [VANDF]
    • SCHEMBL10776420
    • SCHEMBL17310122
    • AKOS015903065
    • DB03635
    • FE76439
    • AS-17305
    • FE111855
    • SY036762
    • Ethanesulfonic acid, 70% aqueous solution
    • DB-053390
    • CS-0019432
    • E0033
    • Ethanesulfonic acid, purum, >=99.0% (T)
    • NS00006035
    • F20396
    • F601066
    • Q3560927
    • 594-45-6

  • Applications

    Ethanesulfonic acid (CAS 594-45-6) is a strong, water-soluble organic acid used primarily as a reagent and solvent in organic synthesis. It serves as an acid catalyst for esterifications, hydrolysis, and polymerization, and as a precursor for sulfonate esters and related sulfonate derivatives. It is also used to form ethanesulfonate salts with pharmaceutical actives, enabling salt forms for drug formulation. In analytical chemistry, it is employed as a buffering component or mobile-phase modifier in LC-MS workflows to adjust acidity and improve separation performance. In polymer and coating processing, it may act as an acid catalyst or reaction medium, and as a source of sulfonic functionality. Applications depend on formulation requirements and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 49.04
    methanol 122.51
    isopropanol 24.96
    water 248.8
    ethyl acetate 6.78
    n-propanol 24.68
    acetone 49.03
    n-butanol 17.51
    acetonitrile 25.45
    DMF 173.96
    toluene 1.7
    isobutanol 14.71
    1,4-dioxane 33.5
    methyl acetate 15.81
    THF 30.93
    2-butanone 19.41
    n-pentanol 12.74
    sec-butanol 16.96
    n-hexane 1.36
    ethylene glycol 51.11
    NMP 123.82
    cyclohexane 1.87
    DMSO 148.06
    n-butyl acetate 5.0
    n-octanol 8.58
    chloroform 4.65
    n-propyl acetate 6.09
    acetic acid 65.99
    dichloromethane 7.82
    cyclohexanone 24.45
    propylene glycol 34.03
    isopropyl acetate 5.65
    DMAc 122.35
    2-ethoxyethanol 47.49
    isopentanol 13.84
    n-heptane 1.29
    ethyl formate 26.02
    1,2-dichloroethane 7.72
    n-hexanol 7.96
    2-methoxyethanol 100.25
    isobutyl acetate 3.1
    tetrachloromethane 2.07
    n-pentyl acetate 7.21
    transcutol 67.39
    n-heptanol 8.51
    ethylbenzene 1.88
    MIBK 8.87
    2-propoxyethanol 23.85
    tert-butanol 27.22
    MTBE 9.76
    2-butoxyethanol 22.34
    propionic acid 25.49
    o-xylene 3.26
    formic acid 142.79
    diethyl ether 8.53
    m-xylene 1.96
    p-xylene 2.95
    chlorobenzene 2.62
    dimethyl carbonate 10.29
    n-octane 0.86
    formamide 201.71
    cyclopentanone 35.57
    2-pentanone 12.4
    anisole 7.93
    cyclopentyl methyl ether 9.01
    gamma-butyrolactone 39.67
    1-methoxy-2-propanol 46.59
    pyridine 13.56
    3-pentanone 9.04
    furfural 63.91
    n-dodecane 0.69
    diethylene glycol 40.19
    diisopropyl ether 2.81
    tert-amyl alcohol 21.58
    acetylacetone 22.88
    n-hexadecane 0.73
    acetophenone 11.69
    methyl propionate 9.05
    isopentyl acetate 4.93
    trichloroethylene 9.22
    n-nonanol 7.64
    cyclohexanol 10.3
    benzyl alcohol 11.32
    2-ethylhexanol 4.43
    isooctanol 6.43
    dipropyl ether 4.0
    1,2-dichlorobenzene 3.71
    ethyl lactate 9.71
    propylene carbonate 19.93
    n-methylformamide 96.03
    2-pentanol 9.07
    n-pentane 1.45
    1-propoxy-2-propanol 13.69
    1-methoxy-2-propyl acetate 8.27
    2-(2-methoxypropoxy) propanol 24.31
    mesitylene 2.21
    ε-caprolactone 19.72
    p-cymene 2.3
    epichlorohydrin 25.25
    1,1,1-trichloroethane 3.24
    2-aminoethanol 60.08
    morpholine-4-carbaldehyde 104.29
    sulfolane 71.66
    2,2,4-trimethylpentane 0.91
    2-methyltetrahydrofuran 16.11
    n-hexyl acetate 8.74
    isooctane 0.54
    2-(2-butoxyethoxy)ethanol 31.63
    sec-butyl acetate 3.57
    tert-butyl acetate 7.34
    decalin 0.98
    glycerin 66.53
    diglyme 56.5
    acrylic acid 32.49
    isopropyl myristate 3.97
    n-butyric acid 18.75
    acetyl acetate 7.69
    di(2-ethylhexyl) phthalate 7.99
    ethyl propionate 4.82
    nitromethane 104.87
    1,2-diethoxyethane 11.55
    benzonitrile 8.26
    trioctyl phosphate 5.45
    1-bromopropane 3.08
    gamma-valerolactone 66.17
    n-decanol 5.77
    triethyl phosphate 4.35
    4-methyl-2-pentanol 6.12
    propionitrile 10.09
    vinylene carbonate 19.94
    1,1,2-trichlorotrifluoroethane 35.01
    DMS 7.69
    cumene 2.19
    2-octanol 5.84
    2-hexanone 8.94
    octyl acetate 5.78
    limonene 3.21
    1,2-dimethoxyethane 65.48
    ethyl orthosilicate 4.1
    tributyl phosphate 5.71
    diacetone alcohol 20.59
    N,N-dimethylaniline 9.5
    acrylonitrile 17.89
    aniline 6.73
    1,3-propanediol 51.37
    bromobenzene 1.69
    dibromomethane 4.48
    1,1,2,2-tetrachloroethane 8.46
    2-methyl-cyclohexyl acetate 6.23
    tetrabutyl urea 11.0
    diisobutyl methanol 3.58
    2-phenylethanol 7.87
    styrene 2.11
    dioctyl adipate 7.92
    dimethyl sulfate 24.64
    ethyl butyrate 4.87
    methyl lactate 20.32
    butyl lactate 11.26
    diethyl carbonate 4.04
    propanediol butyl ether 29.92
    triethyl orthoformate 4.74
    p-tert-butyltoluene 2.26
    methyl 4-tert-butylbenzoate 15.63
    morpholine 36.36
    tert-butylamine 13.22
    n-dodecanol 4.36
    dimethoxymethane 44.62
    ethylene carbonate 14.29
    cyrene 29.44
    2-ethoxyethyl acetate 11.5
    2-ethylhexyl acetate 3.63
    1,2,4-trichlorobenzene 4.4
    4-methylpyridine 11.96
    dibutyl ether 4.99
    2,6-dimethyl-4-heptanol 3.58
    DEF 28.27
    dimethyl isosorbide 29.1
    tetrachloroethylene 7.87
    eugenol 19.45
    triacetin 13.42
    span 80 18.57
    1,4-butanediol 25.45
    1,1-dichloroethane 3.9
    2-methyl-1-pentanol 10.16
    methyl formate 72.95
    2-methyl-1-butanol 12.88
    n-decane 1.07
    butyronitrile 10.35
    3,7-dimethyl-1-octanol 6.72
    1-chlorooctane 2.47
    1-chlorotetradecane 1.3
    n-nonane 1.04
    undecane 0.83
    tert-butylcyclohexane 0.76
    cyclooctane 0.89
    cyclopentanol 16.76
    tetrahydropyran 11.65
    tert-amyl methyl ether 8.44
    2,5,8-trioxanonane 47.55
    1-hexene 2.55
    2-isopropoxyethanol 23.54
    2,2,2-trifluoroethanol 38.65
    methyl butyrate 10.16

    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