ChemicalBook--->CAS DataBase List--->594-45-6

594-45-6

594-45-6 Structure

594-45-6 Structure
IdentificationMore
[Name]

Ethanesulfonic acid
[CAS]

594-45-6
[Synonyms]

ETHANESULFONIC ACID
ETHANESULPHONIC ACID
ETHANSULFONIC ACID
ETHYLSULFONATE, POLYMER-BOUND
ETHYLSULFONIC ACID
ethanesulfonate
Ethanesulfonicacid,90%
ETHANESULFONIC ACID, 70 WT. % SOLUTION I N WATER
ETHANESULFONIC ACID 95%
Ethanesulfonicacid,97%
Ethanesulfonicacid,95+%
ethanesulfonic acid solution
ETHANSULFONIC ACID 70% SOLUTION IN WATER
1-Ethanesulfonic acid
[EINECS(EC#)]

209-843-0
[Molecular Formula]

C2H6O3S
[MDL Number]

MFCD00007529
[Molecular Weight]

110.13
[MOL File]

594-45-6.mol
Chemical PropertiesBack Directory
[Appearance]

clear yellow to brown liquid
[Melting point ]

-17 °C (lit.)
[Boiling point ]

123 °C/0.01 mmHg (lit.)
[density ]

1.35 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.434(lit.)
[Fp ]

>230 °F
[storage temp. ]

Store below +30°C.
[solubility ]

water: soluble
[form ]

Liquid
[pka]

1.83±0.50(Predicted)
[color ]

Colorless to yellow
[Specific Gravity]

1.357
[Water Solubility ]

soluble
[BRN ]

1743071
[InChI]

1S/C2H6O3S/c1-2-6(3,4)5/h2H2,1H3,(H,3,4,5)
[InChIKey]

CCIVGXIOQKPBKL-UHFFFAOYSA-N
[SMILES]

O=S(O)(CC)=O
[LogP]

-1.577 (est)
[CAS DataBase Reference]

594-45-6(CAS DataBase Reference)
[EPA Substance Registry System]

594-45-6(EPA Substance)
Questions And AnswerBack Directory
[Description]

Ethanesulfonic acid (esylic acid) is a sulfonic acid with the chemical formula CH3CH2SO3H. The conjugate base is known as ethanesulfonate or, when used in pharmaceutical formulations, as esilate. It is a colorless liquid.
Ethanesulfonic acid
[Uses]

Ethanesulfonic acid is an alkanesulfonic acid in which the alkyl group directly linked to the sulfo functionality is ethyl, and it is a conjugate acid of an ethanesulfonate. employed in the electrolytic reduction of perrhenate solutions. Ethanesulfonic acid is used as pharmaceutical intermediates, catalyst of polymerization and alkylation. It participates in the electrolytic reduction of perrhenate solutions.

[structure and hydrogen bonding]

This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).
[Preparation]

(1) To a glass reactor equipped with a reflux condenser, sample inlet, internal cooler, stirring device and solvent was distilled off with an opening and closing cock was charged with 60weight % of hydrogen peroxide solution 295 g (5.20 mol) prepared and 154 g (1.00 mol) of bis(2-hydroxyethyl)disulfide was uniformly added from the sample inlet over 150 minutes and the liquid was stirred. During this time, the temperature of reaction liquid was held at 45 °C by flowing 19 °C cooling water at the flow rate of 140mL/minutes into the condenser. After completion of the addition, the reaction solution temperature was maintained at 50 °C for 2 hours and heated under reflux for 4 hours.

594-45-6 synthesis

During heating under reflux, the nitrogen gas was blown and the portion of steam was evaporated from the reaction system. 55 weight% aqueous solution of isethionic acid was obtained as a product. Purity of the generated isethionic acid was 244g (1.94 mol) and the yield was 97%. (2) Similarly, there is another synthesis route as shown in scheme 3. The product was obtained in the same manner as above route (1), instead of bis(2-hydroxyethyl)disulfide 154 g (1.00 mol), diethyl disulfide 122 g(1.00 mol) was added, the temperature was maintained at 45 °C by flowing 19 °C cooling water at the flow rate of 140mL/minute into the condenser and the temperature was maintained at 75 °C for 2 hours. 52 weight% aqueous solution of ethanesulfonic acid was obtained as a product. The purity of the generated ethanesulfonic acid was 213 g (1.94 mol) and the yield was 97%.

Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314
[Precautionary statements ]

P280-P303+P361+P353-P305+P351+P338+P310
[Hazard Codes ]

C
[Risk Statements ]

R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 2586 8/PG 3
[WGK Germany ]

3
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

8
[PackingGroup ]

II
[HS Code ]

29041000
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Skin Corr. 1B
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Ethanesulfonic acid(594-45-6).msds
Hazard InformationBack Directory
[Chemical Properties]

clear yellow to brown liquid
[Definition]

ChEBI: An alkanesulfonic acid in which the alkyl group directly linked to the sulfo functionality is ethyl.
[General Description]

Ethanesulfonic acid participates in electrolytic reduction of perrhenate solutions.
Spectrum DetailBack Directory
[Spectrum Detail]

Ethanesulfonic acid(594-45-6)1HNMR
Ethanesulfonic acid(594-45-6)13CNMR
Ethanesulfonic acid(594-45-6)IR1
Ethanesulfonic acid(594-45-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Ethanesulfonic acid, 99%(594-45-6)
[Alfa Aesar]

Ethanesulfonic acid, 97%(594-45-6)
[Sigma Aldrich]

594-45-6(sigmaaldrich)
[TCI AMERICA]

Ethanesulfonic Acid,>90.0%(T)(594-45-6)
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