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Substance Name: Isoeugenol trans-form
RN: 5932-68-3
UNII: 28FSR1NAY4
InChIKey: BJIOGJUNALELMI-ONEGZZNKSA-N

Molecular Formula

  • C10-H12-O2

Molecular Weight

  • 164.203
 
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Names and Synonyms

Name of Substance

  • Isoeugenol trans-form

Synonyms

  • (E)-Isoeugenol
  • 4-06-00-06324 (Beilstein Handbook Reference)
  • BRN 2046156
  • EINECS 227-678-2
  • Isoeugenol and isomers
  • NSC 209522
  • trans-2-Methoxy-4-propenylphenol
  • trans-Isoeugenol
  • trans-p-Propenylquaiacol
  • UNII-28FSR1NAY4

Systematic Names

  • (E)-2-Methoxy-4-(prop-1-enyl)phenol
  • Phenol, 2-methoxy-4-(1-propenyl)-, (E)- (9CI)
  • Phenol, 2-methoxy-4-propenyl-, (E)-

Registry Numbers

CAS Registry Number

  • 5932-68-3

FDA UNII

  • 28FSR1NAY4

System Generated Number

  • 0005932683

Structure Descriptors

InChI

1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+

InChIKey

BJIOGJUNALELMI-ONEGZZNKSA-N

Smiles

c1(cc(ccc1O)\C=C\C)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 540mg/kg (540mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 815, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 33.5 deg C   EXP
log P (octanol-water) 2.650 (none)   EST
Atmospheric OH Rate Constant 8.46E-11 cm3/molecule-sec 25 EST

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