CAS Number: 594-45-6
EC Number: 209-843-0
Linear Formula: CH3CH2SO3H
Molecular Weight: 110.13
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.
Ethanesulfonic acid is a colorless liquid.
Uses of Ethanesulfonic acid:
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.
Ethanesulfonic acid is employed in the electrolytic reduction of perrhenate solutions.
Ethanesulfonic acid is used as pharmaceutical intermediates, catalyst of polymerization and alkylation.
Ethanesulfonic acid participates in the electrolytic reduction of perrhenate solutions.
Structure and hydrogen bonding of Ethanesulfonic acid:
Ethanesulfonic acid 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 of Ethanesulfonic acid:
(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%.
Chemical Properties of Ethanesulfonic acid:
Ethanesulfonic acid is a clear yellow to brown liquid.
Uses of Ethanesulfonic acid:
Ethanesulfonic acid is employed in the electrolytic reduction of perrhenate solutions.
Ethanesulfonic acid is also used as a catalyst for alkylation, polymerization and other reactions.
Further, Ethanesulfonic acid reacts with triethoxymethane to prepare ethanesulfonic acid ethyl ester.
Ethanesulfonic acid can be analyzed by this reverse phase (RP) HPLC method with simple conditions.
The mobile phase contains an acetonitrile (MeCN), water, and phosphoric acid.
For Mass-Spec (MS) compatible applications the phosphoric acid needs to be replaced with formic acid.
Smaller 3 µm particles columns available for fast UPLC applications.
This liquid chromatography method is scalable and can be used for isolation impurities in preparative separation.
Ethanesulfonic acid also suitable for pharmacokinetics.
Definition of Ethanesulfonic acid:
ChEBI: An alkanesulfonic acid in which the alkyl group directly linked to the sulfo functionality is ethyl.
General Description of Ethanesulfonic acid:
Ethanesulfonic acid participates in electrolytic reduction of perrhenate solutions.
Preferred IUPAC name:
Ethanesulfonic acid
Other names:
Esylic acid, ethylsulfonic acid
General description of Ethanesulfonic acid:
Ethanesulfonic acid participates in electrolytic reduction of perrhenate solutions.
Description of Ethanesulfonic acid:
Catalogue Number: 820016
Description: Ethanesulfonic acid
Physical State :Liquid
Solubility :Soluble in water.
Storage :Store at room temperature
Melting Point :-17° C (lit.)
Density :1.35 g/mL at 25° C (lit.)
Ethanesulfonic acid is a sulfonic acid with the chemical formula CH3CH2SO3H.
KEYWORDS:
594-45-6, 209-843-0, esylic acid, 1-ethanesulfonic acid, UNII-599310E3U2, MFCD00007529, 599310E3U2, methylmethane sulfonic acid, SCHEMBL1904, Ethanesulfonic acid 70% water
Product Information of Ethanesulfonic acid:
CAS number: 594-45-6
EC number: 209-843-0
Hill Formula: C₂H₆O₃S
Chemical formula: C₂H₅SO₃H
Molar Mass: 110.13 g/mol
HS Code: 2904 10 00
Applications of Ethanesulfonic acid:
Application Ethanesulfonic acid for synthesis.
CAS 594-45-6, chemical formula C₂H₅SO₃H.
Physicochemical Information of Ethanesulfonic acid:
Boiling point: 136 - 140 °C (3 hPa)
Density: 1.34 g/cm3
Flash point: 113 °C
Melting Point: -17 °C
pH value: <1.0 (H₂O)
Identifiers of Ethanesulfonic acid:
CAS Number: 594-45-6
ChEBI: CHEBI:42465
ChemSpider: 11178 ☒
ECHA InfoCard: 100.008.950
EC Number: 209-843-0
PubChem CID: 11668
UNII: 599310E3U2
CompTox Dashboard (EPA): DTXSID5060487
About Ethanesulfonic acid Helpful information:
Ethanesulfonic acid is registered under the REACH Regulation and is manufactured in and / or imported to the European Economic Area, at ≥ 1 000 to < 10 000 tonnes per annum.
Ethanesulfonic acid is used by consumers, by professional workers (widespread uses), in formulation or re-packing, at industrial sites and in manufacturing.
Consumer Uses of Ethanesulfonic acid:
Ethanesulfonic acid is used in the following products: plant protection products, cosmetics and personal care products and washing & cleaning products.
Other release to the environment of Ethanesulfonic acid is likely to occur from: indoor use as processing aid and outdoor use as processing aid.
Article service life of Ethanesulfonic acid:
ECHA has no public registered data on the routes by which Ethanesulfonic acid is most likely to be released to the environment.
ECHA has no public registered data indicating whether or into which articles Ethanesulfonic acid might have been processed.
Widespread uses by professional workers of Ethanesulfonic acid:
Ethanesulfonic acid is used in the following products: plant protection products and cosmetics and personal care products.
Ethanesulfonic acid is used in the following areas: agriculture, forestry and fishing.
Other release to the environment of Ethanesulfonic acid is likely to occur from: indoor use as processing aid and outdoor use as processing aid.
Formulation or re-packing of Ethanesulfonic acid:
Ethanesulfonic acid is used in the following products: cosmetics and personal care products.
Release to the environment of Ethanesulfonic acid can occur from industrial use: formulation of mixtures.
Uses at industrial sites of Ethanesulfonic acid:
Ethanesulfonic acid is used in the following products: biocides (e.g. disinfectants, pest control products), paper chemicals and dyes, perfumes and fragrances, washing & cleaning products and cosmetics and personal care products.
Ethanesulfonic acid is used for the manufacture of: plastic products.
Release to the environment of Ethanesulfonic acid can occur from industrial use: in processing aids at industrial sites and as processing aid.
Manufacture of Ethanesulfonic acid:
Release to the environment of Ethanesulfonic acid can occur from industrial use: manufacturing of the substance.
MDL number: MFCD00007529
PubChem Substance ID: 24851210
NACRES: NA.22
Beilstein: 1743071
Properties of Ethanesulfonic acid:
Chemical formula: C2H6O3S
Molar mass: 110.13 g/mol
Appearance: Colorless liquid
Density: 1.35 g/mL
Melting point: −17 °C (1 °F; 256 K)
Boiling point: 122–123 °C (252–253 °F; 395–396 K) at 0.01 mmHg
Solubility in water: Soluble
log P: −0.37
Acidity (pKa): −1.68
CAS No.: 594-45-6
Chemical Name: Ethanesulfonic acid
Synonyms:
ETHANESULPHONIC ACID;EthanesuL;ethanesulfonate;ETHANSULFONIC ACID;ETHYLSULFONIC ACID;ETHANESULFONIC ACID;1-Ethanesulfonic acid;EthanesulfonicAcid>Ethanesulfonicacid,90%;Ethanesulfonicacid,97%
CBNumber: CB5173859
Molecular Formula: C2H6O3S
Molecular Weight: 110.13
MDL Number: MFCD00007529
MOL File: 594-45-6.mol
MSDS File: SDS
Modify Date: 2022-08-15 17:40:03
General description of Ethanesulfonic acid:
Ethanesulfonic acid participates in electrolytic reduction of perrhenate solutions.
PROPERTIES of Ethanesulfonic acid:
Quality Level:
200
assay:
95%
refractive index:
n20/D 1.434 (lit.)
bp:
123 °C/0.01 mmHg (lit.)
mp:
−17 °C (lit.)
solubility:
water: soluble
density:
1.35 g/mL at 25 °C (lit.)
SMILES string:
O=S(O)(CC)=O
InChI:
1S/C2H6O3S/c1-2-6(3,4)5/h2H2,1H3,(H,3,4,5)
InChI key:
CCIVGXIOQKPBKL-UHFFFAOYSA-N
Product Number: E0033
Purity / Analysis Method: >90.0%(T)
Molecular Formula / Molecular Weight: C2H6O3S = 110.13
Physical State (20 deg.C): Liquid
Store Under Inert Gas: Store Ethanesulfonic acid under inert gas
Condition to Avoid: Hygroscopic
CAS RN: 594-45-6
Reaxys Registry Number: 1743071
PubChem Substance ID: 87569347
SDBS (AIST Spectral DB): 4280
MDL Number: MFCD00007529
Molecular Weight: 110.13
XLogP3-AA: -0.5
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 3
Rotatable Bond Count: 1
Exact Mass: 110.00376522
Monoisotopic Mass: 110.00376522
Topological Polar Surface Area: 62.8 Ų
Heavy Atom Count: 6
Formal Charge: 0
Complexity: 105
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count : 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes
Synonyms:
Ethanesulfonic acid
594-45-6
Ethylsulfonic Acid
Ethanesulphonic acid
ethane sulphonic acid
Ethane sulfonate
ethylsulphonic acid
ethane sulfonic acid
1-ethanesulfonic acid
2-ethanesulfonic acid
UNII-599310E3U2
MFCD00007529
599310E3U2
ethansulfonic acid
ethansulphonic acid
EINECS 209-843-0
methylmethane sulfonic acid
Ethanesulfonic acid, 95%
SCHEMBL1904
Ethanesulfonic acid 70% water
DTXSID5060487
CHEBI:42465
ZINC3861350
AKOS015903065
DB03635
AS-17305
SY036762
U403
DB-053390
CS-0019432
Ethanesulfonic acid, purum, >=99.0% (T)
FT-0625725
F20396
Ethanesulfonic acid solution, 70 wt. % in H2O
A917850
Q3560927
W-105320
Ethanesulfonic acid [ACD/Index Name] [ACD/IUPAC Name]
1743071 [Beilstein]
1-Ethanesulfonic acid
209-843-0 [EINECS]
594-45-6 [RN]
599310E3U2
acide ésilique [French]
Acide éthanesulfonique [French] [ACD/IUPAC Name]
esilic acid
Ethansulfonsäure [German] [ACD/IUPAC Name]
Ethylsulfonic acid
Ethylsulphonic acid
MFCD00007529 [MDL number]
WSQ2 [WLN]
2-(N-MORPHOLINO)-ETHANESULFONIC ACID
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
EINECS 209-843-0
EPE
ESA
Ethanesulfonate [ACD/IUPAC Name]
ETHANESULFONIC ACID|ETHANESULFONIC ACID
Ethanesulfonic acidmissing
MES
methyl-mesylate
UNII:599310E3U2
UNII-599310E3U2
ethanesulfonic acid
1-ethanesulfonic acid
ethanesulfonicacid
ethanesulphonic acid
ethansulfonic acid
ethylsulfonic acid
ethylsulphonic acid
Regulatory process names:
Ethanesulfonic acid, 2-(methylamino)-, N-coco acyl derivs., sodium salts
Ethanesulfonic acid, 2-(methylamino)-, N-coco acyl derivs., sodium salts
CAS names:
Ethanesulfonic acid, 2-(methylamino)-, N-coco acyl derivs., sodium salts
IUPAC names:
DIAPON K-SF
Ethanesulfonic acid, 2-(cocomethylamino), sodium salt
Ethanesulfonic acid, 2-(methylamino)-, N-coco acyl derivs., sodium salts
ethanesulfonic acid,2-(methylamino)-,N-coco acyl derivs.,sodium salts
N-(Coconut oil acyl)-N-methyltaurine, Na
Sodium Methyl Cocoyl Taurate
Trade names:
Adinol CT24
ADINOL CT30S
ADINOL CT95 (SM)
ADINOL CT95SD
Other identifiers:
61791-42-2