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W241105

Sigma-Aldrich

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

biological source

synthetic

Quality Level

400

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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Disclaimer

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

pictograms

Health hazardExclamation mark
GHS08,GHS07

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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_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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Certificates of Analysis (COA)

Lot/Batch Number
SHBN9869
SHBN9236
SHBN5858
SHBN3514
SHBL6425

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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
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.
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
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.
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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