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Substance Name: Benzoic acid, 4-(allyloxy)-3,5-diisopropyl-, ethyl ester
RN: 100347-71-5
InChIKey: KPZHGODZBXGYDV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H24-O3

Molecular Weight

  • 290.4004
 
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Names and Synonyms

Synonyms

  • 4-Allyloxy-3,5-diisopropylbenzoic acid ethyl ester
  • Ethyl 4-allyloxy-3,5-diisopropylbenzoate

Systematic Name

  • Benzoic acid, 4-(allyloxy)-3,5-diisopropyl-, ethyl ester

Registry Numbers

CAS Registry Number

  • 100347-71-5

System Generated Number

  • 0100347715

Structure Descriptors

InChI

1S/C18H26O3/c1-7-9-21-17-15(12(3)4)10-14(18(19)20-8-2)11-16(17)13(5)6/h7,10-13H,1,8-9H2,2-6H3

InChIKey

KPZHGODZBXGYDV-UHFFFAOYSA-N

Smiles

CCOC(=O)c1cc(c(c(c1)C(C)C)OCC=C)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 201, 1960.