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Merck
CN

34098

Estragole

analytical standard

Synonym(s):

4-Allylanisole, p-Allylphenyl methyl ether, p-Methoxyallylbenzene, Chavicol methyl ether, Estragole, Isoanethole, Methyl chavicol

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About This Item

Linear Formula:
H2C=CHCH2C6H4OCH3
CAS Number:
140-67-0
Molecular Weight:
148.20
UNSPSC Code:
85151701
NACRES:
NA.24
PubChem Substance ID:
329754812
EC Number:
205-427-8
Beilstein/REAXYS Number:
1099454
MDL number:
MFCD00008653

Key Documents

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Product Name

Estragole, analytical standard

InChI key

ZFMSMUAANRJZFM-UHFFFAOYSA-N

InChI

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

SMILES string

COc1ccc(CC=C)cc1

grade

analytical standard

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.521 (lit.)

bp

215-216 °C (lit.)

density

0.965 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

format

neat

Quality Level

100

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Related Categories

Application

Estragole may be used as an analytical reference standard for the quantification of the analyte in food products, Croton zehntneri aromatic plant, pharmaceutical products, herbal teas and herbal extracts using gas chromatography coupled with flame ionization detection (GC-FID) and gas chromatography coupled to mass spectrometry (GC-MS).
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

General description

Estragole is a plant extract, used in a variety of consumer products including flavorings, perfumes and homeopathic remedies. This compound exists as a natural constituent in a variety of plants and their essential oils, including, sweet basil, sweet fennel, tarragon and Croton zehntneri which are used in food products as flavoring agents.

Other Notes

This compound is commonly found in plants of the genus: pimpinella

pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 3 - Carc. 2 - Eye Irrit. 2 - Muta. 2 - Skin Irrit. 2 - Skin Sens. 1

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

177.8 °F - closed cup

flash_point_c

81 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
BCCN7519
BCCM5714
BCCK9548
BCCJ3685
BCCG6987

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Isolation, characterization and evaluation of antimicrobial and cytotoxic activity of estragole, obtained from the essential oil of croton zehntneri (euphorbiaceae)
Andrade BCT, et al.
Anais da Academia Brasileira de Ciencias, 87(1), 173-182 (2015)
Determination of Estragole in Pharmaceutical Products, Herbal Teas and Herbal Extracts Using GC-FID
Ismaiel AO, et al.
Journal of Applied Pharmaceutical Science, 6(12), 144-150 (2016)
Determination of estragole, safrole and eugenol methyl ether in food products.
Siano F, et al.
Food Chemistry, 81(3), 469-475 (2003)
Yuta Suzuki et al.
Archives of toxicology, 86(10), 1593-1601 (2012-05-12)
Estragole (ES) is a natural organic compound used frequently as a flavoring food additive. Although it has been reported to be tumorigenic and induce DNA adducts in the mouse liver, there have been no reports regarding ES hepatocarcinogenicity in rats.
Alicia Paini et al.
Toxicology and applied pharmacology, 245(1), 57-66 (2010-02-11)
Estragole has been shown to be hepatocarcinogenic in rodent species at high-dose levels. Translation of these results into the likelihood of formation of DNA adducts, mutation, and ultimately cancer upon more realistic low-dose exposures remains a challenge. Recently we have
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