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Merck
CN

05820

4-Allylanisole

purum, ≥97.0% (GC)

Synonym(s):

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
EC Number:
205-427-8
UNSPSC Code:
12352100
PubChem Substance ID:
329748174
Beilstein/REAXYS Number:
1099454
MDL number:
MFCD00008653

Key Documents

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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

purum

assay

≥97.0% (GC)

bp

215-216 °C (lit.)

density

0.965 g/mL at 25 °C (lit.)

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pictograms

Exclamation markEnvironment
GHS07,GHS09

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Irrit. 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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Antonio Raffo et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 49(2), 370-375 (2010-11-26)
Quantification of estragole content in commercial fennel herbal teas was carried out in order to allow for a more accurate estimate of the dietary exposure to estragole. A simple and rapid analytical method, based on Stir Bar Sorptive Extraction and
A R MacKenzie et al.
Philosophical transactions of the Royal Society of London. Series B, Biological sciences, 366(1582), 3177-3195 (2011-10-19)
We report measurements of atmospheric composition over a tropical rainforest and over a nearby oil palm plantation in Sabah, Borneo. The primary vegetation in each of the two landscapes emits very different amounts and kinds of volatile organic compounds (VOCs)
W Alhusainy et al.
Toxicology and applied pharmacology, 245(2), 179-190 (2010-03-17)
Estragole is a natural constituent of several herbs and spices including sweet basil. In rodent bioassays, estragole induces hepatomas, an effect ascribed to estragole bioactivation to 1'-sulfooxyestragole resulting in DNA adduct formation. The present paper identifies nevadensin as a basil
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
Alicia Paini et al.
Mutagenesis, 27(6), 653-663 (2012-07-31)
Estragole is a naturally occurring food-borne genotoxic compound found in a variety of food sources, including spices and herbs. This results in human exposure to estragole via the regular diet. The objective of this study was to quantify the dose-dependent
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