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05818

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
UNSPSC Code:
85151701
NACRES:
NA.24
PubChem Substance ID:
329748173
EC Number:
205-427-8
Beilstein/REAXYS Number:
1099454
MDL number:
MFCD00008653
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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

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

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.

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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
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)
View All Related Papers

Global Trade Item Number

SKUGTIN
159166-50G04061838744401
05818-5ML04061838642844
05818-1ML04061838642837