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Merck
CN

123226

Anisole

ReagentPlus®, 99%

Synonym(s):

Methoxybenzene, Methyl phenyl ether

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About This Item

Linear Formula:
CH3OC6H5
CAS Number:
100-66-3
Molecular Weight:
108.14
NACRES:
NA.21
PubChem Substance ID:
329749709
eCl@ss:
39023603
UNSPSC Code:
12352112
EC Number:
202-876-1
MDL number:
MFCD00008354
Beilstein/REAXYS Number:
506892
Assay:
99%
Bp:
154 °C (lit.)
Vapor pressure:
10 mmHg ( 42.2 °C)

Key Documents

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InChI key

RDOXTESZEPMUJZ-UHFFFAOYSA-N

InChI

1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3

SMILES string

COc1ccccc1

vapor density

3.7 (vs air)

vapor pressure

10 mmHg ( 42.2 °C)

product line

ReagentPlus®

assay

99%

form

liquid

autoignition temp.

887 °F

expl. lim.

0.34-6.3 %

dilution

(for general lab use)

refractive index

n20/D 1.516 (lit.)

bp

154 °C (lit.)

mp

−37 °C (lit.)

density

0.995 g/mL at 25 °C (lit.)

Quality Level

200

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General description

Anisole can be obtained from the reaction between methyl formate and sodium phenolate or potassium phenolate at high temperature and pressure.

Application

Anisole has been used as a dopant to improve the sensitivity of photoionization at atmospheric pressure, which can be used as a source in the detection of nonpolar compounds using liquid chromatography coupled with mass spectrometry. It has also been used to improve the molecular fragmentation which further increases the background signal intensity in hyperthermal surface ionization source, when coupled with time-of-flight mass spectrometer.

Legal Information

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

hcodes

H226,H336

Hazard Classifications

Flam. Liq. 3 - STOT SE 3

target_organs

Central nervous system

Storage Class

3 - Flammable liquids

flash_point_f

109.4 °F - closed cup

flash_point_c

43 °C - closed cup

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
SDBB8061
MKCZ9554
SDBB6529
SDBB6289
MKCZ4894

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"A silica-based monolithic column in capillary HPLC and CEC coupled with ESI-MS or electrospray-atmospheric-pressure laser ionization-MS"
Droste S, et al.
Electrophoresis, 26(21), 4098-4103 (2005)
"Hyperthermal surface ionization in a time-of-flight mass spectrometer"
Weickhardt C and Draack L
Eur. J. Mass Spectrom., 6(4), 319- 323 (2000)
Adolfsson H, et al.
Science of Synthesis: Houben-Weyl Methods of Molecular Transformations, 37 (2014)
Fiona Wong et al.
Environmental science & technology, 45(3), 876-881 (2011-01-05)
Shipboard measurements of organohalogen compounds in air and surface seawater were conducted in the Canadian Arctic in 2007-2008. Study areas included the Labrador Sea, Hudson Bay, and the southern Beaufort Sea. High volume air samples were collected at deck level
Zhiyun Du et al.
Organic & biomolecular chemistry, 10(21), 4164-4171 (2012-03-30)
Described in this study is the ability of tetrabutylammonium salts (TBAX) to mediate an efficient mono- or di-demethylation removing one or two out of five aromatic methoxy methyl groups situated in similar chemical microenvironments in a H-bonded macrocyclic aromatic pentamer.
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