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Merck
CN

A29208

4-Allylanisole

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
Beilstein:
1099454
EC Number:
205-427-8
MDL number:
MFCD00008653
UNSPSC Code:
12352100
PubChem Substance ID:
24890706
NACRES:
NA.22

Key Documents

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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

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Related Categories

Pictograms

Health hazardExclamation mark
GHS08,GHS07

Signal Word

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 Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

177.8 °F - closed cup

Flash Point(C)

81 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
SHBS8645
SHBR6548
SHBQ5907
SHBQ0903
SHBL7166

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David Fowler et al.
Philosophical transactions of the Royal Society of London. Series B, Biological sciences, 366(1582), 3196-3209 (2011-10-19)
This paper reports measurements of land-atmosphere fluxes of sensible and latent heat, momentum, CO(2), volatile organic compounds (VOCs), NO, NO(2), N(2)O and O(3) over a 30 m high rainforest canopy and a 12 m high oil palm plantation in the
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
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
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
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.
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