Ketcher 08211810562D 1   1.00000     0.00000     0

  9  9  0     0  0            999 V2000
   -1.8128   -0.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6788   -0.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6788   -1.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8128   -2.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9468   -1.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9468   -0.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8128    0.9719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0807   -0.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9468    1.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  1  6  2  0     0  0
  1  7  1  0     0  0
  6  8  1  0     0  0
  7  9  1  0     0  0
M  END
> <ID>
CHEBI:141702

> <NAME>
2-methylanisole

> <DEFINITION>
A monomethoxybenzene that is o-cresol in which phenolic hydroxy group has been converted to the corresponding methyl ether. A 'green' solvent (b.p. 171 °C) and food flavour ingredient, it is found in mastic oils, virgin olive oils and frankincense.

> <STAR>
3

> <SYNONYM>
o-methylanisole; o-methoxytoluene; o-cresyl methyl ether; o-cresol methyl ether; methyl o-tolyl ether; methyl o-cresyl ether; 2-methylmethoxybenzene; 2-methylanisole; 2-methoxytoluene

> <IUPAC_NAME>
1-methoxy-2-methylbenzene

> <FORMULA>
C8H10O

> <MASS>
122.165

> <MONOISOTOPIC_MASS>
122.07316

> <CHARGE>
0

> <SMILES>
C=1(C=CC=CC1C)OC

> <INCHI>
InChI=1S/C8H10O/c1-7-5-3-4-6-8(7)9-2/h3-6H,1-2H3

> <INCHIKEY>
DTFKRVXLBCAIOZ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
578-58-5

> <REAXYS_REGISTRY_NUMBER>
1857415

> <CHEMIDPLUS>
578-58-5

> <NIST_CHEMISTRY_WEBBOOK>
578-58-5

> <WIKIPEDIA_ACCESSION>
Methoxytoluene

> <PUBMED_CITATION>
28812350; 29950589

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