Skip Navigation
ChemIDplus A TOXNET DATABASE Lite•Browse•Advanced

Substance Name: 1-Methoxy-4-(2-propenyl)benzene
RN: 140-67-0
UNII: 9NIW07V3ET
InChIKey: ZFMSMUAANRJZFM-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Natural Product
  • Skin / Eye Irritant
  • Tumor Data

Molecular Formula

  • C10-H12-O

Molecular Weight

  • 148.204
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 1-Methoxy-4-(2-propenyl)benzene
  • Estragole

Synonyms

  • 1-Allyl-4-methoxybenzene
  • 1-Methoxy-4-(2-propen-1-yl)benzene
  • 1-Methoxy-4-(2-propenyl)benzene
  • 3-(p-Methoxyphenyl)propene
  • 4-06-00-03817 (Beilstein Handbook Reference)
  • 4-Allyl-1-methoxybenzene
  • 4-Allylanisole
  • 4-Allylmethoxybenzene
  • 4-Methoxyallylbenzene
  • AI3-16052
  • Allylphenyl methyl ether, p-
  • Anisole, p-allyl-
  • Benzene, 1-methoxy-4-(2-propenyl)-
  • BRN 1099454
  • CCRIS 1317
  • Chavicol methyl ether
  • Chavicol, O-methyl-
  • Chavicyl methyl ether
  • EINECS 205-427-8
  • EPA Pesticide Chemical Code 062150
  • Esdragol
  • Esdragole
  • Esdragon
  • Estragole
  • Estragole (natural)
  • FEMA No. 2411
  • FEMA Number 2411
  • HSDB 5412
  • Isoanethole
  • Methyl chavicol
  • NCI-C60946
  • NSC 404113
  • p-Allylanisole
  • p-Allylmethoxybenzene
  • p-Methoxyallylbenzene
  • Tarragon
  • Terragon
  • UNII-9NIW07V3ET

Systematic Names

  • 4-Allylanisole
  • Anisole, p-allyl-
  • Benzene, 1-methoxy-4-(2-propen-1-yl)-
  • Benzene, 1-methoxy-4-(2-propenyl)-
  • Estragole
  • p-Allylanisole

Superlist Names

  • Anisole, p-allyl-
  • Estragole

Registry Numbers

CAS Registry Number

  • 140-67-0

FDA UNII

  • 9NIW07V3ET

Other Registry Numbers

  • 1407-27-8
  • 77525-18-9

System Generated Number

  • 0000140670

Structure Descriptors

InChI

1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3

InChIKey

ZFMSMUAANRJZFM-UHFFFAOYSA-N

Smiles

c1(ccc(OC)cc1)CC=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1260mg/kg (1260mg/kg) BEHAVIORAL: ANTIPSYCHOTIC Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 246, Pg. 1465, 1958.
mouse LD50 oral 1250mg/kg (1250mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: COMA		 Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 14, Pg. 603, 1976.
rat LD50 intraperitoneal 1030mg/kg (1030mg/kg) BEHAVIORAL: ANTIPSYCHOTIC Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 246, Pg. 1465, 1958.
rat LD50 oral 1230mg/kg (1230mg/kg)   Food and Cosmetics Toxicology. Vol. 14, Pg. 603, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 215.5 deg C   EXP
log P (octanol-water) 3.470 (none)   EST
Water Solubility 178 mg/L 25 EXP
Atmospheric OH Rate Constant 5.43E-11 cm3/molecule-sec 25 EST

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