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Substance Name: Methylisoeugenol, (Z)-
RN: 6380-24-1
UNII: 64DPK8DS6F
InChIKey: NNWHUJCUHAELCL-PLNGDYQASA-N

Molecular Formula

  • C11-H14-O2

Molecular Weight

  • 178.2296
 
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Names and Synonyms

Name of Substance

  • Methylisoeugenol, (Z)-

Synonyms

  • 3-06-00-04995 (Beilstein Handbook Reference)
  • BRN 1911284
  • cis-4-Propenyl veratrole
  • cis-Methyl isoeugenol
  • UNII-64DPK8DS6F

Systematic Name

  • Benzene, 1,2-dimethoxy-4-propenyl-, (Z)-

Registry Numbers

CAS Registry Number

  • 6380-24-1

FDA UNII

  • 64DPK8DS6F

System Generated Number

  • 0006380241

Structure Descriptors

InChI

1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3/b5-4-

InChIKey

NNWHUJCUHAELCL-PLNGDYQASA-N

Smiles

C/C=C\c1ccc(c(c1)OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 535mg/kg (535mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: COMA
Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 250, Pg. 1148, 1960.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 70 deg C   EXP
Boiling Point 270.5 deg C   EXP
log P (octanol-water) 3.030 (none)   EST
Atmospheric OH Rate Constant 7.51E-11 cm3/molecule-sec 25 EST

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