Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2-(Ethylsulfonyl)ethanol
RN: 513-12-2
UNII: 95YYW1049K
InChIKey: LJNDRJPZYNGSKZ-UHFFFAOYSA-N

Molecular Formula

  • C4-H10-O3-S

Molecular Weight

  • 138.186
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 2-(Ethylsulfonyl)ethanol

Synonyms

  • 2-(Ethylsulfonyl)ethanol
  • 4-01-00-02430 (Beilstein Handbook Reference)
  • BRN 1748754
  • ESE
  • Ethylsulfonylethanol
  • Ethylsulfonylethyl alcohol
  • NSC 60543
  • UNII-95YYW1049K

Systematic Name

  • Ethanol, 2-(ethylsulfonyl)-

Registry Numbers

CAS Registry Number

  • 513-12-2

FDA UNII

  • 95YYW1049K

System Generated Number

  • 0000513122

Structure Descriptors

InChI

1S/C4H10O3S/c1-2-8(6,7)4-3-5/h5H,2-4H2,1H3

InChIKey

LJNDRJPZYNGSKZ-UHFFFAOYSA-N

Smiles

S(CCO)(CC)(=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 10gm/kg (10000mg/kg)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 259, 1969.
mouse LDLo oral 14gm/kg (14000mg/kg)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 259, 1969.
rat LD50 oral 18gm/kg (18000mg/kg)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 259, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 46 deg C   EXP
log P (octanol-water) -1.590 (none)   EST
Atmospheric OH Rate Constant 2.06E-11 cm3/molecule-sec 25 EST

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