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Isobutyl cinnamate Structure

Isobutyl cinnamate

Chemical Properties

Boiling point 287 °C (lit.)
Density  1 g/mL at 25 °C (lit.)
FEMA  2193 | ISOBUTYL CINNAMATE
refractive index  n20/D 1.54(lit.)
Flash point 237 °F
storage temp.  Sealed in dry,Room Temperature
Odor at 100.00 %. sweet balsam fruity like labdanum
Odor Type balsamic
biological source synthetic
JECFA Number 664
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
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 CC(C)COC(=O)\C=C\c1ccccc1
LogP 3.830 (est)
CAS DataBase Reference 122-67-8(CAS DataBase Reference)
NIST Chemistry Reference 2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester(122-67-8)
EPA Substance Registry System 2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester (122-67-8)

Safety Information

WGK Germany  2
RTECS  GD9550000
TSCA  TSCA listed
Storage Class 10 - Combustible liquids
Toxicity Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg(Levenstein, 1975).

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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