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05818

Supelco

4-Allylanisole

analytical standard

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:
85151701
PubChem Substance ID:
329748173
NACRES:
NA.24

grade

analytical standard

Quality Level

100

Assay

≥98.5% (GC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.521 (lit.)
n20/D 1.521

bp

215-216 °C (lit.)

density

0.965 g/mL at 25 °C (lit.)

application(s)

food and beverages

format

neat

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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General description

4-Allylanisole is one of the oxygenated aromatic biogenic volatile organic compounds (BVOCs) which is usually synthesized by plants.

Application

4-Allylanisole has been used as a reference standard for the analysis of 4-allylanisole in essential oils by high performance liquid chromatography (HPLC) equipped with fluorometric detector and in emissions from live vegetation by solid-phase microextraction (SPME) combined with proton transfer reaction mass spectrometry (PTR-MS). It may be used as a reference standard for the determination of 4-allylanisole in food products by simultaneous distillation-extraction (SDE) followed by analyses using capillary gas chromatography (GC)-flame ionization detector (FID) and GC-MS.

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
BCCD6405
BCBX4064
BCBT5529

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Methyl chavicol: characterization of its biogenic emission rate, abundance, and oxidation products in the atmosphere.
Bouvier-Brown NC, et al.
Atmospheric Chemistry and Physics, 9(6), 2061-2074 (2009)
Determination of fragrance allergens in essential oils and evaluation of their in vitro permeation from essential oil formulations through cultured skin.
Wang LH and Liu HJ
Journal of Analytical Chemistry, 67(1), 64-71 (2012)
Determination of estragole, safrole and eugenol methyl ether in food products.
Siano F, et al.
Food Chemistry, 81(3), 469-475 (2003)
A R MacKenzie et al.
Philosophical transactions of the Royal Society of London. Series B, Biological sciences, 366(1582), 3177-3195 (2011-10-19)
We report measurements of atmospheric composition over a tropical rainforest and over a nearby oil palm plantation in Sabah, Borneo. The primary vegetation in each of the two landscapes emits very different amounts and kinds of volatile organic compounds (VOCs)
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
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