Anisole

Anisole, or methoxybenzene, is an organic compound with the formula CH3OC6H5. It is a colorless liquid with a smell reminiscent of anise seed, and in fact many of its derivatives are found in natural and artificial fragrances. The compound is mainly made synthetically and is a precursor to other synthetic compounds. Structurally, it is an ether (−O−) with a methyl (−CH3) and phenyl (−C6H5) group attached. Anisole is a standard reagent of both practical and pedagogical value.

Anisole
Names
Preferred IUPAC name
Anisole
Systematic IUPAC name
Methoxybenzene
Other names
Methyl phenyl ether
Phenoxymethane
Identifiers
3D model (JSmol)
506892
ChEBI
ChEMBL
ChemSpider
ECHA InfoCard 100.002.615
EC Number
  • 202-876-1
2964
KEGG
RTECS number
  • BZ8050000
UNII
UN number 2222
  • InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3 Y
    Key: RDOXTESZEPMUJZ-UHFFFAOYSA-N Y
  • InChI=1/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
    Key: RDOXTESZEPMUJZ-UHFFFAOYAP
  • COc1ccccc1
Properties
C7H8O
Molar mass 108.140 g·mol−1
Appearance Colorless liquid
Density 0.995 g/cm3
Melting point −37 °C (−35 °F; 236 K)
Boiling point 154 °C (309 °F; 427 K)
Solubility Insoluble
−72.79×10−6 cm3/mol
Hazards
GHS labelling:
Warning
H226, H315, H319
P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P313, P337+P313, P362, P370+P378, P403+P235, P501
NFPA 704 (fire diamond)
1
2
0
Lethal dose or concentration (LD, LC):
3700 mg/kg (rat, oral)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Y verify (what is YN ?)
Infobox references

It can be prepared by the Williamson ether synthesis; sodium phenoxide is reacted with a methyl halide to yield anisole.

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