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Substance Name: Isomethyleugenol
RN: 93-16-3
UNII: 46RN7Q97DE
InChIKey: NNWHUJCUHAELCL-PLNGDYQASA-N

Classification Codes

  • Natural Product
  • Skin / Eye Irritant

Molecular Formula

  • C11-H14-O2

Molecular Weight

  • 178.23
 
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Names and Synonyms

Results Name

  • Isomethyleugenol

Name of Substance

  • 1,2-Dimethoxy-4-(1-propenyl)benzene
  • Isomethyleugenol

Synonyms

  • 1,2-Dimethoxy-4-(1-propen-1-yl)benzene
  • 1,2-Dimethoxy-4-(1-propenyl)benzene
  • 1,2-Dimethoxy-4-propenylbenzene
  • 1,3,4-Isoeugenol methyl ether
  • 1-(3,4-Dimethoxyphenyl)-1-propene
  • 1-Propene, 1-(3,4-dimethoxyphenyl)-
  • 1-Veratryl-1-propene
  • 2-06-00-00918 (Beilstein Handbook Reference)
  • 3,4-Dimethoxypropenylbenzene (VAN)
  • 4-Propenyl veratrole
  • 4-Propenyl-1,2-dimethoxybenzene
  • 4-Propenylveratrole
  • AI3-20967
  • Benzene, 1,2-dimethoxy-4-(1-propenyl)-
  • Benzene, 1,2-dimethoxy-4-propenyl-
  • BRN 0880472
  • EINECS 202-224-6
  • FEMA No. 2476
  • Isoeugenol methyl ether
  • Isoeugenyl methyl ether
  • Isohomogenol
  • Methyl isoeugenol
  • Methylisoeugenol
  • NSC 46111
  • O-Methylisoeugenol
  • Propenylguaiacol
  • UNII-46RN7Q97DE

Systematic Names

  • 4-Prop-1-enylveratrole
  • Benzene, 1,2-dimethoxy-4-(1-propen-1-yl)-
  • Benzene, 1,2-dimethoxy-4-(1-propenyl)-
  • Benzene, 1,2-dimethoxy-4-propenyl-

Superlist Name

  • Isoeugenyl methyl ether

Registry Numbers

CAS Registry Number

  • 93-16-3

FDA UNII

  • 46RN7Q97DE

System Generated Number

  • 0000093163

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

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 570mg/kg (570mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 199, Pg. 226, 1972.
mouse LD50 intravenous 181mg/kg (181mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 199, Pg. 226, 1972.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 865, 1975.
rat LD50 oral 2500mg/kg (2500mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 865, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 18 deg C   EXP
Boiling Point 270.5 deg C   EXP
log P (octanol-water) 2.950 (none)   EST
Atmospheric OH Rate Constant 7.57E-11 cm3/molecule-sec 25 EST

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