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W241105

Sigma-Aldrich

4-Allylanisole

≥98%, FCC

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Synonym(s):
p-Allylphenyl methyl ether, p-Methoxyallylbenzene, Chavicol methyl ether, Estragole, Isoanethole, Methyl chavicol
Linear Formula:
H2C=CHCH2C6H4OCH3
CAS Number:
Molecular Weight:
148.20
FEMA Number:
2411
Beilstein/REAXYS Number:
1099454
EC Number:
Council of Europe no.:
184
MDL number:
PubChem Substance ID:
NACRES:
NA.21

biological source

synthetic

Quality Level

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

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

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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1 of 4

This Item
W407701W379905W217012
vibrant-m

W241105

4-Allylanisole

vibrant-m

W407701

o-Anisaldehyde

vibrant-m

W379905

1,2-Dimethoxybenzene

vibrant-m

W217012

2-Butanone

grade

Fragrance grade, Kosher, Halal

grade

FG, Fragrance grade, Halal, Kosher

grade

FG, Fragrance grade, Halal

grade

FG, Fragrance grade, Halal, Kosher, natural

fragrance allergen

no known allergens

fragrance allergen

no known allergens

fragrance allergen

no known allergens

fragrance allergen

no known allergens

organoleptic

anise; green; spicy; herbaceous; minty; sweet

organoleptic

almond; hawthorne; sweet; vanilla

organoleptic

anise; clove; spicy; vanilla

organoleptic

ethereal

food allergen

no known allergens

food allergen

no known allergens

food allergen

no known allergens

food allergen

no known allergens

documentation

see Safety & Documentation for available documents

documentation

see Safety & Documentation for available documents

documentation

see Safety & Documentation for available documents

documentation

see Safety & Documentation for available documents

Disclaimer

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

pictograms

Exclamation markEnvironment

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_germany

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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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
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
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
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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