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Substance Name: Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 3,3,5-trimethylcyclohexyl ester
RN: 58327-15-4
InChIKey: CMOOEBBRWSCLNF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H27-Cl-O3

Molecular Weight

  • 338.8723
 
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Names and Synonyms

Synonyms

  • 2-(4-Chlorophenoxy)-2-methylpropanoic acid 3,3,5-trimethylcyclohexyl ester
  • 3,3,5-Trimethylcyclohexyl 2-(4-chlorophenoxy)-2-methylpropanoate

Systematic Name

  • Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 3,3,5-trimethylcyclohexyl ester

Registry Numbers

CAS Registry Number

  • 58327-15-4

System Generated Number

  • 0058327154

Structure Descriptors

InChI

1S/C19H27ClO3/c1-13-10-16(12-18(2,3)11-13)22-17(21)19(4,5)23-15-8-6-14(20)7-9-15/h6-9,13,16H,10-12H2,1-5H3

InChIKey

CMOOEBBRWSCLNF-UHFFFAOYSA-N

Smiles

CC1CC(CC(C1)(C)C)OC(=O)C(C)(C)Oc2ccc(cc2)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 5gm/kg (5000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 25, Pg. 1686, 1975.