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Key Documents

05818

Supelco

4-Allylanisole

analytical standard

Sinônimo(s):

p-Allylphenyl methyl ether, p-Methoxyallylbenzene, Chavicol methyl ether, Estragole, Isoanethole, Methyl chavicol

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About This Item

Fórmula linear:
H2C=CHCH2C6H4OCH3
Número CAS:
Peso molecular:
148.20
Beilstein:
1099454
Número CE:
Número MDL:
Código UNSPSC:
85151701
ID de substância PubChem:
NACRES:
NA.24

grau

analytical standard

Nível de qualidade

Ensaio

≥98.5% (GC)

prazo de validade

limited shelf life, expiry date on the label

técnica(s)

HPLC: suitable
gas chromatography (GC): suitable

índice de refração

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

pb

215-216 °C (lit.)

densidade

0.965 g/mL at 25 °C (lit.)

aplicação(ões)

food and beverages

formato

neat

cadeia de caracteres SMILES

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

chave InChI

ZFMSMUAANRJZFM-UHFFFAOYSA-N

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Descrição geral

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

Aplicação

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.

Pictogramas

Health hazardExclamation mark

Palavra indicadora

Warning

Classificações de perigo

Acute Tox. 4 Oral - Aquatic Chronic 3 - Carc. 2 - Eye Irrit. 2 - Muta. 2 - Skin Irrit. 2 - Skin Sens. 1

Código de classe de armazenamento

10 - Combustible liquids

Classe de risco de água (WGK)

WGK 2

Ponto de fulgor (°F)

177.8 °F - closed cup

Ponto de fulgor (°C)

81 °C - closed cup

Equipamento de proteção individual

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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Wang LH and Liu HJ
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Methyl chavicol: characterization of its biogenic emission rate, abundance, and oxidation products in the atmosphere.
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Determination of estragole, safrole and eugenol methyl ether in food products.
Siano F, et al.
Food Chemistry, 81(3), 469-475 (2003)
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
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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

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