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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-11 17:48:04 UTC
Update Date2023-02-21 17:21:38 UTC
HMDB IDHMDB0032136
Secondary Accession Numbers
  • HMDB32136
Metabolite Identification
Common Name2-Methoxy-4-methylphenol
Description2-Methoxy-4-methylphenol, also known as 4-methylguaiacol or creosol, 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. Creosol reacts with hydrogen halides to give a catechol. Compared with phenol, creosol is a less toxic disinfectant. It is one of the components of creosote. 2-Methoxy-4-methylphenol is a bacon, bitter, and carnation tasting compound. 2-Methoxy-4-methylphenol has been detected, but not quantified, in several different foods, such as red bell peppers, green bell peppers, orange bell peppers, corns, and pepper (c. annuum). Sources of creosol include: Coal tar, creosote Wood, creosoteReduction product of vanillin using zinc powder in strong hydrochloric acidFound as glycosides in green vanilla beans. It is also found in tequila.
Structure
Data?1677000098
Synonyms
Chemical FormulaC8H10O2
Average Molecular Weight138.1638
Monoisotopic Molecular Weight138.068079564
IUPAC Name2-methoxy-4-methylphenol
Traditional Namecreosol
CAS Registry Number93-51-6
SMILES
COC1=C(O)C=CC(C)=C1
InChI Identifier
InChI=1S/C8H10O2/c1-6-3-4-7(9)8(5-6)10-2/h3-5,9H,1-2H3
InChI KeyPETRWTHZSKVLRE-UHFFFAOYSA-N
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
  • P-cresol
  • Anisole
  • 1-hydroxy-2-unsubstituted benzenoid
  • Toluene
  • Alkyl aryl ether
  • Monocyclic benzene moiety
  • Ether
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect
Disposition
ProcessNot Available
Role
Physical Properties
StateLiquid
Experimental Molecular Properties
PropertyValueReference
Melting Point5.5 °CNot Available
Boiling Point221.00 to 222.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Water Solubility2093 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP1.925 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen Locations
  • Feces
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Clostridium difficile infection
details
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB008862
KNApSAcK IDNot Available
Chemspider ID21105936
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkCreosol
METLIN IDNot Available
PubChem Compound7144
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1020341
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .