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Merck

284424

4-Allyl-1,2-dimethoxybenzene

99%

Synonym(s):

Eugenol methyl ether, 4-Allyl-1,2-dimethoxybenzene, Eugenyl methyl ether

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About This Item

Linear Formula:
H2C=CHCH2C6H3(OCH3)2
CAS Number:
93-15-2
Molecular Weight:
178.23
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24857155
EC Number:
202-223-0
Beilstein/REAXYS Number:
1910871
MDL number:
MFCD00008652
Assay:
99%
Form:
liquid

Key Documents

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InChI key

ZYEMGPIYFIJGTP-UHFFFAOYSA-N

InChI

1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3

SMILES string

COc1ccc(CC=C)cc1OC

assay

99%

form

liquid

Quality Level

100

bp

254-255 °C (lit.)

mp

−4 °C (lit.)

density

1.036 g/mL at 25 °C (lit.)

functional group

allyl

Related Categories

General description

4-Allyl-1,2-dimethoxybenzene was identified and quantified using automated headspace solid-phase microextraction coupled with GC/MS/MS.

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 2 - Carc. 2 - Muta. 2

Storage Class

10 - Combustible liquids

wgk

WGK 1

flash_point_f

230.0 °F - closed cup

flash_point_c

110 °C - closed cup

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
SHBS2383
SHBQ5908
SHBM9562
SHBM0250
SHBL5375

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Katerina Bousova et al.
Journal of AOAC International, 94(4), 1189-1199 (2011-09-17)
A method was developed using automated headspace solid-phase microextraction coupled with GC/MS/MS to simultaneously determine the presence of seven biologically active flavoring substances whose levels of use in processed foods is controlled by statutory limits. The method can be applied
Suparmi Suparmi et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 118, 53-67 (2018-05-05)
The consumer risks of jamu, Indonesian traditional herbal medicines, was assessed focussing on the presence of alkenylbenzene containing botanical ingredients. Twenty-three out of 25 samples contained alkenylbenzenes at levels ranging from 3.8 to 440 μg/kg, with methyleugenol being the most frequently
Isabel Anna Maria Groh et al.
Food & function, 3(4), 428-436 (2012-02-04)
Methyleugenol is a substituted alkenylbenzene classified by the European Union's Scientific Committee on Food as a genotoxic carcinogen. We addressed cytotoxicity, genotoxicity and mutagenicity caused by methyleugenol and selected oxidative methyleugenol metabolites in Chinese hamster lung fibroblasts V79 cells. Cytotoxicity
Alexander T Cartus et al.
Toxicological sciences : an official journal of the Society of Toxicology, 129(1), 21-34 (2012-05-23)
Methyleugenol (1) is a constituent of many foods, in particular of herbal spices, and is used as flavoring agent in foodstuffs and as fragrance in cosmetics. 1 has been found to be carcinogenic in rodents, its metabolite, 1-hydroxymethyleugenol (2) acting
Ala' A A Al-Subeihi et al.
Toxicology and applied pharmacology, 260(3), 271-284 (2012-03-27)
This study defines a physiologically based kinetic (PBK) model for methyleugenol (ME) in human based on in vitro and in silico derived parameters. With the model obtained, bioactivation and detoxification of methyleugenol (ME) at different doses levels could be investigated.
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