Record Information
Version1.0
Creation date2015-10-09 22:31:41 UTC
Update date2017-01-19 02:36:31 UTC
FoodComEx IDPC000637
FoodDB RecordFDB011885
Chemical Information
Name2-Methoxyphenol
DescriptionPresent in Parmesan cheese, tea and soybean. Flavouring ingredient. 2-Methoxyphenol is found in many foods, some of which are milk and milk products, asparagus, pepper (c. annuum), and wild celery.
CAS Number90-05-1
Structure
Thumb
Synonyms
SynonymSource
1-Hydroxy-2-methoxybenzenebiospider
2-Hydroxy-Anisolebiospider
2-Hydroxyanisolebiospider
2-methoxy-Phenolbiospider
AnastilHMDB
Catechol methyl etherdb_source
Catechol monomethyl etherbiospider
Creodonbiospider
FEMA 2532db_source
Guaiacoldb_source
Guaiacol (liquid) extra pureHMDB
Guaiastilbiospider
Guaicolbiospider
GuaicolinaHMDB
GuajakolHMDB
GuajolHMDB
GuasolHMDB
Guiacolbiospider
Methoxyphenolbiospider
Methyl catecholbiospider
MethylcatacholHMDB
MethylcatecholHMDB
O-guaiacolbiospider
O-guiacolbiospider
o-Hydroxyanisoledb_source
O-methoxy-phenolbiospider
O-methoxyphenolbiospider
O-methyl catecholbiospider
Ortho-guaiacolbiospider
Phenol, 2-methoxy-biospider
Phenol, methoxy-biospider
Phenol, o-methoxy-biospider
Pyrocatechol monomethyl etherHMDB
Pyroguaiac acidHMDB
Chemical FormulaC7H8O2
IUPAC name2-methoxyphenol
InChI IdentifierInChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
InChI KeyLHGVFZTZFXWLCP-UHFFFAOYSA-N
Isomeric SMILESCOC1=C(O)C=CC=C1
Average Molecular Weight124.139
Monoisotopic Molecular Weight124.052429498
Chemical Taxonomy
Description Belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenols
Sub ClassMethoxyphenols
Direct ParentMethoxyphenols
Alternative Parents
Substituents
  • Methoxyphenol
  • Phenoxy compound
  • Methoxybenzene
  • Phenol ether
  • Anisole
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Alkyl aryl ether
  • Monocyclic benzene moiety
  • Ether
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logP1.32HANSCH,C ET AL. (1995)
Experimental Water Solubility18.7 mg/mL at 15 oCYALKOWSKY,SH & DANNENFELSER,RM (1992)
Melting PointMp 32° (prisms)DFC
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 700 mg
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci G383
AKSci J11070
Cayman Chemical 70430
Cayman Chemical HMDB0001398
MetaSci HMDB0001398
Toronto Research Chemicals M265300