123226

Anisole

ReagentPlus^®, 99%

• Synonym(s): Methoxybenzene, Methyl phenyl ether
• Linear Formula: CH₃OC₆H₅
• CAS Number: 100-66-3
• Molecular Weight: 108.14
• Beilstein/REAXYS Number: 506892
• EC Number: 202-876-1
• MDL number: MFCD00008354
• UNSPSC Code: 12352112
• eCl@ss: 39023603
• PubChem Substance ID: 329749709
• NACRES: NA.21

Properties

• 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

Description

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

Safety Information

• pictograms: GHS02,GHS07
• signalword: Warning
• hcodes: H226,H336
• pcodes: P210 - P233 - P240 - P241 - P242 - P243
• Hazard Classifications: Flam. Liq. 3 - STOT SE 3
• target_organs: Central nervous system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 2
• flash_point_f: 109.4 °F - closed cup
• flash_point_c: 43 °C - closed cup