ethanesulfonic acid

• ChemBase ID: 3293
• Molecular Formular: C2H6O3S
• Molecular Mass: 110.13224
• Monoisotopic Mass: 110.00376505
• SMILES: CCS(=O)(=O)O
• Canonical SMILES: CCS(=O)(=O)O
• InChI: InChI=1S/C2H6O3S/c1-2-6(3,4)5/h2H2,1H3,(H,3,4,5)
• InChIKey: CCIVGXIOQKPBKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethanesulfonic acid
• IUPAC Traditional name: ethanesulfonic acid
• Synonyms: Ethanesulfonic Acid; Ethanesulfonic acid; Ethanesulfonic acid solution; Ethylsulfonic acid; 乙基磺酸; 乙基磺酸 溶液; 乙烷磺酸

Database IDs

• CAS Number: 594-45-6
• EC Number: 209-843-0
• MDL Number: MFCD00007529
• Beilstein Number: 1743071
• PubChem SID: 24870742; 24845280; 24851210; 160966735; 46504764
• PubChem CID: 11668

CALCULATED PROPERTIES

JChem

• Acid pKa: -1.2983367
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.8277588
• LogD (pH = 7.4): -2.827775
• Log P: -0.4513764
• Molar Refractivity: 21.4039 cm^3
• Polarizability: 9.206546 Å^3
• Polar Surface Area: 54.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: -1.69
• LOG S: -0.32
• Solubility (Water): 5.24e+01 g/l

PROPERTIES

Physical Property

• Apperance: Liquid
• Melting Point: -17 °C(lit.); -17°C
• Boiling Point: 122-123°C/0.01mm; 123 °C/0.01 mmHg(lit.)
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F
• Density: 1.271 g/mL at 25 °C; 1.343; 1.35 g/mL at 25 °C(lit.)
• Refractive Index: 1.4350; n20/D 1.42; n20/D 1.434; n20/D 1.434(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2586; UN2586
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3; III
• Risk Statements: 34; 35
• Safety Statements: 20-23-26-36/37/39-45-60; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H314; H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2586 8/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥99.0% (T); 95%; 96%; 97%
• Concentration: 70 wt. % in H2O
• Grade: purum
• Linear Formula: CH3CH2SO3H

DETAILS

DrugBank - DB03635

Drug information: experimental

Sigma Aldrich - 471550

Packaging
100, 500 g in glass bottle
2 kg in glass bottle
Legal Information
Product of Arkema Inc.

Sigma Aldrich - 186260

Packaging
5, 25 g in glass bottle