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Substance Name: 2-Propenoic acid, 3-phenyl-, 1-methylethyl ester
RN: 7780-06-5
InChIKey: RGACABDFLVLVCT-CMDGGOBGSA-N

Classification Codes

  • Agricultural Chemical
  • Insect Attractant, Repellent and Chemosterilant

Molecular Formula

  • C12-H14-O2

Molecular Weight

  • 190.241
 
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Names and Synonyms

Synonyms

  • 1-Methylethyl 3-phenyl-2-propenoate
  • 1-Methylethyl 3-phenylpropenoate
  • 2-09-00-00387 (Beilstein Handbook Reference)
  • 2-Propenoic acid, 3-phenyl-, 1-methylethyl ester
  • AI3-02026
  • BRN 1908938
  • Cinnamic acid, isopropyl ester
  • EINECS 231-949-0
  • FEMA No. 2939
  • Isopropyl 3-phenylpropenoate
  • Isopropyl cinnamate
  • Isopropylester kyseliny skoricove
  • Isopropylester kyseliny skoricove [Czech]

Systematic Names

  • 2-Propenoic acid, 3-phenyl-, 1-methylethyl ester
  • Cinnamic acid, isopropyl ester
  • Isopropyl cinnamate

Superlist Name

  • Isopropyl cinnamate

Registry Numbers

CAS Registry Number

  • 7780-06-5

System Generated Number

  • 0007780065

Structure Descriptors

InChI

1S/C12H14O2/c1-10(2)14-12(13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+

InChIKey

RGACABDFLVLVCT-CMDGGOBGSA-N

Smiles

c1(\C=C\C(OC(C)C)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 2700uL/kg (2.7mL/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, ALLERGIC: AFTER SYSTEMIC EXPOSURE" Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.
guinea pig LD50 skin > 10mL/kg (10mL/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 365, 1988.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 365, 1988.