Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Isethionic acid
RN: 107-36-8
UNII: 97J3QN9884
InChIKey: SUMDYPCJJOFFON-UHFFFAOYSA-N

Note

  • A colorless, syrupy, strongly acidic liquid that can form detergents with oleic acid.

Molecular Formula

  • C2-H6-O4-S

Molecular Weight

  • 126.1314
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Isethionic acid

MeSH Heading

  • Isethionic acid

Synonyms

  • (2-Hydroxyethyl)sulfonic acid
  • 2-Hydroxyethanesulfonic acid
  • 4-04-00-00084 (Beilstein Handbook Reference)
  • AI3-19644
  • BRN 1751214
  • Caswell No. 502
  • EINECS 203-484-3
  • EPA Pesticide Chemical Code 047701
  • Ethanolsulfonic acid
  • Hydroxyethylsulfonic acid
  • Isethionic acid
  • Kyselina 2-hydroxyethansulfonova
  • Kyselina 2-hydroxyethansulfonova [Czech]
  • Kyselina isethionova
  • Kyselina isethionova [Czech]
  • NSC 60516
  • UNII-97J3QN9884
  • USAF DO-14

Systematic Names

  • 2-Hydroxyethanesulphonic acid
  • Ethanesulfonic acid, 2-hydroxy-

Registry Numbers

CAS Registry Number

  • 107-36-8

FDA UNII

  • 97J3QN9884

Other Registry Numbers

  • 2087491-52-7
  • 51694-03-2

Related Registry Numbers

  • 1561-99-5 (mono-potassium salt)
  • 1562-00-1 (mono-hydrochloride salt)
  • 57267-78-4 (mono-ammonium salt)

System Generated Number

  • 0000107368

Structure Descriptors

InChI

1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6)

InChIKey

SUMDYPCJJOFFON-UHFFFAOYSA-N

Smiles

OCCS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   National Technical Information Service. Vol. AD277-689,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
log P (octanol-water) -3.360 (none)   EST
Water Solubility 1.00E+06 mg/L   EXP
Atmospheric OH Rate Constant 5.45E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.