CAS 594-45-6 Ethanesulfonic acid (HCID 11668)

Names & identifiers

Preferred name: Ethanesulfonic acid
IUPAC: ethanesulfonic acid
English name: Ethanesulfonic acid
Molecular formula: C2H6O3S
Molecular weight: 110.13

Names & synonyms

Ethanesulfonic acid594-45-6Ethylsulfonic AcidEthanesulphonic acidethane sulphonic acid1-ethanesulfonic acidethylsulphonic acid2-ethanesulfonic acid599310E3U2DTXSID5060487CHEBI:42465RefChem:591753

Show more names

ethanesulfonateEthanesuLesilic acidETHYLSULFONATEethanesulfonylacid

DTXCID4042622209-843-0InChI=1/C2H6O3S/c1-2-6(3,4)5/h2H2,1H3,(H,3,4,5Ethane sulfonateethane sulfonic acidMFCD00007529ethansulfonic acidethansulphonic acid

Database identifiers

CAS: 594-45-6
PubChem CID: 11668
DTXSID: DTXSID5060487
ChEBI: CHEBI:42465
UNII: 599310E3U2
EC Number: 209-843-0
Nikkaji: J136.509F

Properties

Computed structural properties

XLogP: -0.5
Topological polar surface area: 62.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 105

Experimental & physicochemical properties

Physical DescriptionClear light yellow liquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point: -17 °C · -17 °C (lit.)
Boiling point: 123 °C/0.01 · 123 °C/0.01 mmHg (lit.)
Density: 1.35 g/mL · 1.35 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.434(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 30 °C · Store below +30°C.
solubility: water: soluble
form: Liquid
pka: 1.83 · 1.83±0.50(Predicted)
Specific Gravity: 1.357 · 1.357
color: Colorless to yellow
Water Solubility: soluble
BRN: 1743071 · 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 · -1.577 (est)
CAS DataBase Reference: 594 · 594-45-6(CAS DataBase Reference)
FDA UNII: 599310 E3U2 · 599310E3U2
EPA Substance Registry System: Ethanesulfonic acid (594-45-6)
UNSPSC Code: 12352106 · 12352106
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P303+P361+P353-P305+P351+P338+P310
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34-35
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 2586 · UN 2586 8/PG 3
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29041000 · 29041000
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H290 (15.3%): May be corrosive to metals [Warning Corrosive to Metals]；H302+H312 (13.6%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]；H302 (81.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (15.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (22%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (15.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 59 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 3 items

Chemical: Ethanesulfonic acid

Status: Active Update: 28-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/20717

Ethanesulphonic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; [Sigma-Aldrich MSDS] See Methanesulfonic acid.

Hazard Classes and CategoriesMet. Corr. 1 (15.3%)；Acute Tox. 4 (81.4%)；Acute Tox. 4 (15.3%)；Skin Corr. 1 (100%)；Eye Dam. 1 (22%)；STOT SE 3 (15.3%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

Regulatory information

Regulatory Information · 3 items

Chemical: Ethanesulfonic acid

Status: Active Update: 28-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/20717

Ethanesulphonic acid: Does not have an individual approval but may be used under an appropriate group standard

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 2586 8/PG 3
hs_code: 29041000
risk_code: 34-35
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
Hazard statements: H314
REACH Registrations: Active
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B
Precautionary statements: P280-P303+P361+P353-P305+P351+P338+P310

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanesulfonic acid: ACTIVE

Applications · 4 items

DescriptionEthanesulfonic 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.

UsesEthanesulfonic 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.

UsesEthanesulfonic acid is employed in the electrolytic reduction of perrhenate solutions. It is also used as a catalyst for alkylation, polymerization and other reactions. Further, it reacts with triethoxymethane to prepare ethanesulfonic acid ethyl ester.

General DescriptionEthanesulfonic acid participates in electrolytic reduction of perrhenate solutions.

Preparation methods · 1 item

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. 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%.