Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ethyl mandelate
RN: 774-40-3
InChIKey: SAXHIDRUJXPDOD-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Skin / Eye Irritant

Molecular Formula

  • C10-H12-O3

Molecular Weight

  • 180.202
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Ethyl mandelate

Synonyms

  • 2-10-00-00121 (Beilstein Handbook Reference)
  • AI3-01643
  • BRN 0975233
  • EINECS 212-263-0
  • Ethyl mandelate
  • Ethyl phenylglycolate
  • Mandelsaeureaethylester
  • Mandelsaeureaethylester [German]
  • NSC 5307

Systematic Names

  • Benzeneacetic acid, alpha-hydroxy-, ethyl ester (9CI)
  • Ethyl mandelate
  • Mandelic acid, ethyl ester

Registry Numbers

CAS Registry Number

  • 774-40-3

System Generated Number

  • 0000774403

Structure Descriptors

InChI

1S/C10H12O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3

InChIKey

SAXHIDRUJXPDOD-UHFFFAOYSA-N

Smiles

c1([C@@H](C(OCC)=O)O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3750mg/kg (3750mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 12, Pg. 347, 1962.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 35 deg C   EXP
log P (octanol-water) 1.53 (none)   EXP
Water Solubility 8780 mg/L 25 EST
Vapor Pressure 2.60E-04 mm Hg 25 EST
Henry's Law Constant 2.93E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.53E-12 cm3/molecule-sec 25 EST

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