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Merck
CN

W241105

4-Allylanisole

≥98%, FCC

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
NACRES:
NA.21
PubChem Substance ID:
24901051
UNSPSC Code:
12164502
Council of Europe no.:
184
EC Number:
205-427-8
MDL number:
MFCD00008653
Beilstein/REAXYS Number:
1099454
Organoleptic:
anise; green; spicy; herbaceous; minty; sweet
Grade:
Fragrance grade, Halal, Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines
Food allergen:
no known allergens

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

biological source

synthetic

grade

Fragrance grade, Halal, Kosher

agency

follows IFRA guidelines

reg. compliance

EU Regulation 1223/2009, FCC, FDA 21 CFR 117, FDA 21 CFR 172.515

assay

≥98%

composition

Contains IFRA restricted 4-Allylanisole

Quality Level

300, 400

refractive index

n20/D 1.521 (lit.)

bp

215-216 °C (lit.)

density

0.965 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

organoleptic

anise; green; spicy; herbaceous; minty; sweet

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Disclaimer

For R&D or non-EU Food use. Not for retail sale.

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
SHBT5797
SHBT0216
SHBS5643
SHBN9869
SHBN9236

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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
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
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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