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Substance Name: Cinnamyl cinnamate
RN: 122-69-0
UNII: F1438569N2
InChIKey: NQBWNECTZUOWID-MZXMXVKLSA-N

Molecular Formula

  • C18-H16-O2

Molecular Weight

  • 264.322
 
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Names and Synonyms

Results Name

  • Cinnamyl cinnamate

Name of Substance

  • Cinnamyl cinnamate

Synonyms

  • 2-Propenoic acid, 3-phenyl-, 3-phenyl-2-propenyl ester
  • 3-Phenyl-2-propen-1-yl 3-phenylpropenoate
  • 3-Phenyl-2-propen-1-yl cinnamate
  • 3-Phenyl-2-propenyl 3-phenyl-2-propenoate
  • 3-Phenylallyl cinnamate
  • AI3-02445
  • CCRIS 904
  • Cinnamic acid, cinnamyl ester
  • Cinnamyl alcohol, cinnamate
  • Cinnamyl beta-phenylacrylate
  • Cinnamyl cinnamate
  • Cinnamyl cinnamate (natural)
  • Cinnamylester kyseliny skoricove
  • Cinnamylester kyseliny skoricove [Czech]
  • EINECS 204-566-1
  • FEMA No. 2298
  • NSC 46161
  • Phenylallyl cinnamate
  • Styracin
  • UNII-F1438569N2

Systematic Names

  • 2-Propenoic acid, 3-phenyl-, 3-phenyl-2-propen-1-yl ester
  • 2-Propenoic acid, 3-phenyl-, 3-phenyl-2-propenyl ester
  • Cinnamic acid, cinnamyl ester
  • Cinnamyl cinnamate

Superlist Name

  • Cinnamyl cinnamate

Registry Numbers

CAS Registry Number

  • 122-69-0

FDA UNII

  • F1438569N2

System Generated Number

  • 0000122690

Structure Descriptors

InChI

1S/C18H16O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-14H,15H2/b12-7+,14-13+

InChIKey

NQBWNECTZUOWID-MZXMXVKLSA-N

Smiles

c1(\C=C\C(OC\C=C\c2ccccc2)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 4200mg/kg (4200mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 753, 1975.
rat LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 753, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 44 deg C   EXP
log P (octanol-water) 4.45 (none)   EXP
Water Solubility 3.120 mg/L 25 EST
Vapor Pressure 6.03E-06 mm Hg 25 EST
Henry's Law Constant 2.43E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.13E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.