Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Orthobenzoic acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol
RN: 70637-03-5
InChIKey: PPVVLQQOTAKGFG-UHFFFAOYSA-N

Molecular Formula

  • C14-H18-O3

Molecular Weight

  • 234.293
 
* 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

Synonym

  • 2,6,7-Trioxabicyclo(2.2.2)octane, 1-phenyl-4-propyl-

Systematic Name

  • Orthobenzoic acid, cyclic ester with 2-(hydroxymethyl)-2-propyl-1,3-propanediol

Registry Numbers

CAS Registry Number

  • 70637-03-5

System Generated Number

  • 0070637035

Structure Descriptors

InChI

1S/C14H18O3/c1-2-8-13-9-15-14(16-10-13,17-11-13)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3

InChIKey

PPVVLQQOTAKGFG-UHFFFAOYSA-N

Smiles

C12(OCC(CO1)(CO2)CCC)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 8mg/kg (8mg/kg)   Toxicology and Applied Pharmacology. Vol. 47, Pg. 287, 1979.