Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzoic acid, 3,5-dipropyl-4-(2-methylallyl)-, ethyl ester
RN: 100482-43-7
InChIKey: HWIXDIXLHKCHDY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H28-O3

Molecular Weight

  • 288.4282
 
* 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

  • 3,5-Dipropyl-4-(2-methylallyl)benzoic acid ethyl ester
  • Ethyl 4-methallyloxy-3,5-dipropylbenzoate

Systematic Name

  • Benzoic acid, 3,5-dipropyl-4-(2-methylallyl)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 100482-43-7

System Generated Number

  • 0100482437

Structure Descriptors

InChI

1S/C19H28O2/c1-6-9-15-12-17(19(20)21-8-3)13-16(10-7-2)18(15)11-14(4)5/h12-13H,4,6-11H2,1-3,5H3

InChIKey

HWIXDIXLHKCHDY-UHFFFAOYSA-N

Smiles

CCCc1cc(cc(c1CC(=C)C)CCC)C(=O)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 530mg/kg (530mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 179, 1960.