Estragole

Title: Estragole
CAS Registry Number: 140-67-0
CAS Name: 1-Methoxy-4-(2-propenyl)benzene
Additional Names: p-allylanisole; chavicol methyl ether; esdragol
Molecular Formula: C10H12O
Molecular Weight: 148.20
Percent Composition: C 81.04%, H 8.16%, O 10.80%
Literature References: Main constituent of tarragon oil (estragon oil), the oil from Artemisia dracunculus L., Compositae (esdragon) where it occurs to an extent of 60-75%: Grimaux, Bull. Soc. Chim. [3] 11, 34 (1894); Daufresne, ibid. [4] 3, 333 (1908). Occurs also in pine oil and in American turpentine oil. Prepn: Tiffeneau, Compt. Rend. 139, 482 (1904); Verley, DE 154654; D. Wigfield, K. Taymaz, Tetrahedron Lett. 1973, 4841; P. Gramatica et al., Gazz. Chim. Ital. 104, 629 (1974). Toxicity study: P. M. Jenner et al., Food Cosmet. Toxicol. 2, 327 (l964).
Properties: Liquid. d421 0.9645. bp764 216°; bp25 108-114°; bp12 95-96°. nD17.5 1.5230. Sol in alcohol, chloroform. Forms azeotropic mixtures with water. LD50 in rats, mice (mg/kg): 1820, 1250 orally (Jenner).
Boiling point: bp764 216°; bp25 108-114°; bp12 95-96°
Index of refraction: nD17.5 1.5230
Density: d421 0.9645
Toxicity data: LD50 in rats, mice (mg/kg): 1820, 1250 orally (Jenner)
Use: In perfumes and as flavor in foods and liqueurs.
Estramustine Estriol Estrone Etafedrine Etafenone

Estragole
Estragole
Identifiers
CAS number 140-67-0 YesY
ChemSpider 13850247 YesY
UNII 9NIW07V3ET YesY
KEGG C10452 YesY
ChEMBL CHEMBL470671 YesY
Jmol-3D images Image 1
Properties
Molecular formula C10H12O
Molar mass 148.20 g/mol
Density 0.946 g/cm3
Boiling point 216 °C; 95–96 °C at 12 mmHg
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Except where noted otherwise, data are given for materials in their standard state (at 25 °C (77 °F), 100 kPa)
Infobox references

Estragole (p-allylanisole, methyl chavicol) is a phenylpropene, a natural organic compound. Its chemical structure consists of a benzene ring substituted with a methoxy group and a propenyl group. It is an isomer of anethole, differing with respect to the location of the double bond. It is a colorless liquid, although impure samples can appear yellow. It is a component of various herbs and is used in the preparation of fragrances.[1]