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123226

Sigma-Aldrich

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
Beilstein:
506892
EC Number:
202-876-1
MDL number:
MFCD00008354
UNSPSC Code:
12352112
eCl@ss:
39023603
PubChem Substance ID:
329749709
NACRES:
NA.21

vapor density

3.7 (vs air)

Quality Level

200

vapor pressure

10 mmHg ( 42.2 °C)

product line

ReagentPlus®

Assay

99%

form

liquid

autoignition temp.

887 °F

expl. lim.

0.34-6.3 %

refractive index

n20/D 1.516 (lit.)

bp

154 °C (lit.)

mp

−37 °C (lit.)

density

0.995 g/mL at 25 °C (lit.)

SMILES string

COc1ccccc1

InChI

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

InChI key

RDOXTESZEPMUJZ-UHFFFAOYSA-N

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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

Signal Word

Warning

Hazard Statements

H226,H336

Hazard Classifications

Flam. Liq. 3 - STOT SE 3

Target Organs

Central nervous system

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

109.4 °F - closed cup

Flash Point(C)

43 °C - closed cup

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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)
S Rivera et al.
Analytical and bioanalytical chemistry, 400(5), 1339-1346 (2011-03-08)
Various carotenoids were analyzed by ultra-high-pressure liquid chromatography with tandem mass spectrometry detection (UHPLC-MS/MS). Three different techniques to ionize the carotenoids were compared: electrospray ionization (ESI), atmospheric pressure chemical ionization (APCI) and atmospheric pressure photoionization (APPI). For all of the
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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