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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
 
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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

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

COc1ccc(CC=C)cc1

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.