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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 18:06:39 UTC
Update Date2023-02-21 17:23:18 UTC
HMDB IDHMDB0033394
Secondary Accession Numbers
  • HMDB33394
Metabolite Identification
Common Name4-Ethyl-2,6-dimethoxyphenol
Description4-Ethyl-2,6-dimethoxyphenol 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. Based on a literature review a significant number of articles have been published on 4-Ethyl-2,6-dimethoxyphenol.
Structure
Thumb
Synonyms
ValueSource
1-Ethyl-3,5-dimethoxy-4-hydroxybenzeneHMDB
2,6-Dimethoxy-4-ethylphenolHMDB
4-Ethyl-2,6-dimethoxy-phenolHMDB
4-Ethyl-2,6-dimethoxyphenol, 9ciHMDB
4-Ethylpyrogallol dimethyl etherHMDB
4-EthylsyringolHMDB
4-Hydroxy-3,5-dimethoxyethylbenzeneHMDB
4-Hydroxy-3,5-dimethoxyphenylethaneHMDB
EthylsyringolHMDB
FEMA 3671HMDB
Phenol, 4-ethyl-2,6-dimethoxyHMDB
Chemical FormulaC10H14O3
Average Molecular Weight182.2164
Monoisotopic Molecular Weight182.094294314
IUPAC Name4-ethyl-2,6-dimethoxyphenol
Traditional Name4-ethyl-2,6-dimethoxyphenol
CAS Registry Number14059-92-8
SMILES
CCC1=CC(OC)=C(O)C(OC)=C1
InChI Identifier
InChI=1S/C10H14O3/c1-4-7-5-8(12-2)10(11)9(6-7)13-3/h5-6,11H,4H2,1-3H3
InChI KeyPJWDIHUFLXQRFF-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
  • M-dimethoxybenzene
  • Dimethoxybenzene
  • Methoxyphenol
  • Phenoxy compound
  • Methoxybenzene
  • Phenol ether
  • Anisole
  • 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 effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling Point106.00 °C. @ 2.00 mm HgThe Good Scents Company Information System
Water Solubility708.6 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP2.368 (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 LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB011427
KNApSAcK IDNot Available
Chemspider ID55612
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound61712
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1037361
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.. .