Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Carbonic acid, 1-methylethyl-, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester
RN: 40580-61-8
InChIKey: ZJFVYFWOHMZGMZ-UHFFFAOYSA-N

Molecular Formula

  • C22-H22-O4

Molecular Weight

  • 350.412
 
* 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

Synonyms

  • 1-Methylethylcarbonic acid 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester
  • BRN 2303932

Systematic Name

  • Carbonic acid, 1-methylethyl-, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester

Registry Numbers

CAS Registry Number

  • 40580-61-8

System Generated Number

  • 0040580618

Structure Descriptors

InChI

1S/C22H22O4/c1-12(2)25-22(24)26-21-17-9-7-6-8-16(17)20(23)19(21)18-14(4)10-13(3)11-15(18)5/h6-12H,1-5H3

InChIKey

ZJFVYFWOHMZGMZ-UHFFFAOYSA-N

Smiles

C1(=C(c2ccccc2C1=O)OC(OC(C)C)=O)c1c(cc(C)cc1C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 1600mg/kg (1600mg/kg)   "Medicinal Chemistry, Proceedings of the International Symposium on Medicinal Chemistry, Main Lectures, 4th, Noordwijkerhout, Netherlands, 1974," Maas, J., ed., New York, Elsevier Science Pub. Co., 1974Vol. 4, Pg. 143, 1974.
rat LD50 oral 707mg/kg (707mg/kg)   "Medicinal Chemistry, Proceedings of the International Symposium on Medicinal Chemistry, Main Lectures, 4th, Noordwijkerhout, Netherlands, 1974," Maas, J., ed., New York, Elsevier Science Pub. Co., 1974Vol. 4, Pg. 143, 1974.