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A29208

4-Allylanisole

Name: 4-Allylanisole
Brand: ALDRICH

98%

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

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24890706

EC Number:

205-427-8

Beilstein/REAXYS Number:

1099454

MDL number:

MFCD00008653

Assay:

98%

Form:

liquid

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Properties

Quality Level

100

assay

98%

form

liquid

refractive index

n20/D 1.521 (lit.)

bp

215-216 °C (lit.)

density

0.965 g/mL at 25 °C (lit.)

SMILES string

COc1ccc(CC=C)cc1

InChI

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

InChI key

ZFMSMUAANRJZFM-UHFFFAOYSA-N

Description

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pictograms

GHS08,GHS07

signalword

Warning

hcodes

H302,H315,H317,H319,H341,H351,H412

pcodes

P273 - P280 - P301 + P312 - P302 + P352 - P305 + P351 + P338 - P308 + P313

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

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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Matrix modulation of the bioactivation of estragole by constituents of different alkenylbenzene-containing herbs and spices and physiologically based biokinetic modeling of possible in vivo effects.

Wasma Alhusainy et al.

Toxicological sciences : an official journal of the Society of Toxicology, 129(1), 174-187 (2012-06-01)

The alkenylbenzene estragole is a constituent of several herbs and spices. It induces hepatomas in rodents at high doses following bioactivation by cytochrome P450s and sulfotransferases (SULTs) giving rise to the ultimate carcinogenic metabolite 1'-sulfooxyestragole which forms DNA adducts. Methanolic

Detection and quantification of specific DNA adducts by liquid chromatography-tandem mass spectrometry in the livers of rats given estragole at the carcinogenic dose.

Yuji Ishii et al.

Chemical research in toxicology, 24(4), 532-541 (2011-03-10)

Estragole (ES) is a natural constituent of several herbs and spices that acts as a carcinogen in the livers of rodents. Given that the proximal electrophilic form of ES with a reactive carbocation is generated by cytochrome P450 and a

Constituents of aromatic plants: II. Estragole.

M De Vincenzi et al.

Fitoterapia, 71(6), 725-729 (2000-11-15)

Estragole (ES) is a natural constituent of a number of plants (e.g. tarragon, sweet basil and sweet fennel) and their essential oils have been widely used in foodstuffs as flavouring agents. Several studies with oral, i.p. or s.c. administration to

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