296295

Anisole

anhydrous, 99.7%

• 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: 57648387
• NACRES: NA.21
• grade: anhydrous
• assay: 99.7%
• bp: 154 °C (lit.)
• vapor pressure: 10 mmHg ( 42.2 °C)

Properties

• grade: anhydrous
• Quality Level: 100
• vapor density: 3.7 (vs air)
• vapor pressure: 10 mmHg ( 42.2 °C)
• assay: 99.7%
• form: liquid
• autoignition temp.: 887 °F
• expl. lim.: 8 %
• impurities: <0.002% water; <0.005% water (100 mL pkg)
• evapn. residue: <0.0003%
• 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

Application

Anisole may undergo:

• Zeolite-catalyzed Friedel-Crafts acylation with acetic anhydride in acetic acid to form 4-methoxyacetophenone with high selectivity.
• Bismuth triflate-catalyzed Friedel-Crafts benzoylation with benzoic anhydride to form 4-methoxybenzophenone under solvent-free microwave irradiation.

It may also be used as a surrogate for lignin primary tar in pyrolysis experiments.

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: 125.1 °F - closed cup
• flash_point_c: 51.7 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter