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Substance Name: Tetradecanoic acid, 3-(1,3-benzodioxol-5-yl)-1-(1,1-dimethylethyl)-2-propenyl ester
RN: 58344-21-1
InChIKey: IYIYCFOSQIPRIQ-CZIZESTLSA-N

Molecular Formula

  • C28-H44-O4

Molecular Weight

  • 444.6516
 
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Names and Synonyms

Synonyms

  • D 442
  • Tetradecanoate de ((methylenedioxy-3,4 phenyl)-1 dimethyl-4,4 pentene-1) yle-3
  • Tetradecanoate de ((methylenedioxy-3,4 phenyl)-1 dimethyl-4,4 pentene-1) yle-3 [French]

Systematic Name

  • Tetradecanoic acid, 3-(1,3-benzodioxol-5-yl)-1-(1,1-dimethylethyl)-2-propenyl ester

Registry Numbers

CAS Registry Number

  • 58344-21-1

System Generated Number

  • 0058344211

Structure Descriptors

InChI

1S/C28H44O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-27(29)32-26(28(2,3)4)20-18-23-17-19-24-25(21-23)31-22-30-24/h17-21,26H,5-16,22H2,1-4H3/b20-18+

InChIKey

IYIYCFOSQIPRIQ-CZIZESTLSA-N

Smiles

CCCCCCCCCCCCCC(=O)OC(/C=C/c1ccc2c(c1)OCO2)C(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   French Demande Patent Document. Vol. #2253504,