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Substance Name: Eugenyl formate
RN: 10031-96-6
UNII: USW3U3L49G
InChIKey: JUTKIGGQRLHTJN-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C11-H12-O3

Molecular Weight

  • 192.2128
 
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Names and Synonyms

Name of Substance

  • Eugenyl formate

Synonyms

  • 0-06-00-00965 (Beilstein Handbook Reference)
  • 2-Methoxy-4-(2-propenyl)phenyl formate
  • 4-(2-Propen-1-yl)-2-methoxyphenyl formate
  • 4-(2-Propenyl)-2-methoxyphenyl formate
  • 4-Allyl-2-methoxyphenol formate
  • 4-Allyl-2-methoxyphenyl formate
  • BRN 3270015
  • EINECS 233-099-6
  • Eugenol formate
  • Eugenyl formate
  • FEMA No. 2473
  • FEMA Number 2473
  • HSDB 2503
  • Phenol, 2-methoxy-4-(2-propenyl)-, formate
  • Phenol, 4-allyl-2-methoxy-, formate
  • UNII-USW3U3L49G

Systematic Names

  • 4-Allyl-2-methoxyphenyl formate
  • Phenol, 2-methoxy-4-(2-propenyl)-, formate
  • Phenol, 4-allyl-2-methoxy-, formate (ester)

Superlist Name

  • Eugenyl formate

Registry Numbers

CAS Registry Number

  • 10031-96-6

FDA UNII

  • USW3U3L49G

System Generated Number

  • 0010031966

Structure Descriptors

InChI

1S/C11H12O3/c1-3-4-9-5-6-10(14-8-12)11(7-9)13-2/h3,5-8H,1,4H2,2H3

InChIKey

JUTKIGGQRLHTJN-UHFFFAOYSA-N

Smiles

c1(c(ccc(c1)CC=C)OC=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 689, 1982.
rat LD50 oral 3400mg/kg (3400mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 689, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 270 deg C   EXP
log P (octanol-water) 2.520 (none)   EST
Water Solubility 340 mg/L 25 EST
Vapor Pressure 4.72E-03 mm Hg 25 EST
Henry's Law Constant 7.61E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.43E-11 cm3/molecule-sec 25 EST

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