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Substance Name: Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)-, ethyl ester
RN: 60012-91-1
InChIKey: NFXCDIOSIJJHGN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H22-O4

Molecular Weight

  • 278.3458
 
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Names and Synonyms

Synonyms

  • 2-Methyl-2-(4-(1-oxobutyl)phenoxy)propanoic acid ethyl ester
  • BRN 1990060
  • Ethyl 2-methyl-2-(4-(1-oxobutyl)phenoxy)propanoate

Systematic Name

  • Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 60012-91-1

System Generated Number

  • 0060012911

Structure Descriptors

InChI

1S/C16H22O4/c1-5-7-14(17)12-8-10-13(11-9-12)20-16(3,4)15(18)19-6-2/h8-11H,5-7H2,1-4H3

InChIKey

NFXCDIOSIJJHGN-UHFFFAOYSA-N

Smiles

CCCC(=O)c1ccc(cc1)OC(C)(C)C(=O)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1600mg/kg (1600mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 26, Pg. 885, 1976.