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Substance Name: Isobutyl cinnamate
RN: 122-67-8
UNII: 4NCI0MR7KP
InChIKey: IQZUZPKOFSOVET-CMDGGOBGSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C13-H16-O2

Molecular Weight

  • 204.267
 
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Names and Synonyms

Name of Substance

  • Isobutyl cinnamate

Synonyms

  • 2-Methylpropyl 3-phenyl-2-propenoate
  • 2-Methylpropyl 3-phenylpropenoate
  • 2-Methylpropyl beta-phenylacrylate
  • 2-Methylpropyl cinnamate
  • 2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester
  • AI3-02384
  • Cinnamic acid, isobutyl ester
  • EINECS 204-564-0
  • FEMA No. 2193
  • Isobutyl 3-phenylpropenoate
  • Isobutyl beta-phenylacrylate
  • Isobutyl cinnamate
  • Labdanol
  • NSC 404181
  • UNII-4NCI0MR7KP

Systematic Names

  • 2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester
  • Cinnamic acid, isobutyl ester
  • Isobutyl cinnamate

Superlist Name

  • Isobutyl cinnamate

Registry Numbers

CAS Registry Number

  • 122-67-8

FDA UNII

  • 4NCI0MR7KP

System Generated Number

  • 0000122678

Structure Descriptors

InChI

1S/C13H16O2/c1-11(2)10-15-13(14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8+

InChIKey

IQZUZPKOFSOVET-CMDGGOBGSA-N

Smiles

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