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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:51:19 UTC
Update Date2022-03-07 02:53:26 UTC
HMDB IDHMDB0032709
Secondary Accession Numbers
  • HMDB32709
Metabolite Identification
Common NameEthyl 1-naphthylacetic acid
DescriptionEthyl 1-naphthylacetic acid, also known as ethyl 1-naphthaleneacetate, belongs to the class of organic compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings. Based on a literature review very few articles have been published on Ethyl 1-naphthylacetic acid.
Structure
Thumb
Synonyms
ValueSource
Ethyl 1-naphthylacetateGenerator
1-Naphthaleneacetic acid, ethyl esterHMDB
1-Naphththaleneacetic acid, ethyl esterHMDB
1-Naphthylacetic acid ethyl esterHMDB
2-(1-Naphthyl)acetic acid ethyl esterHMDB
alpha-Naphthaleneacetic acid, ethyl esterHMDB
Ethyl 1-naphthaleneacetateHMDB
Ethyl naphthaleneacetateHMDB
Ethyl 2-(naphthalen-1-yl)acetic acidHMDB
Chemical FormulaC14H14O2
Average Molecular Weight214.2598
Monoisotopic Molecular Weight214.099379692
IUPAC Nameethyl 2-(naphthalen-1-yl)acetate
Traditional Nameethyl 2-(naphthalen-1-yl)acetate
CAS Registry Number2122-70-5
SMILES
CCOC(=O)CC1=CC=CC2=CC=CC=C12
InChI Identifier
InChI=1S/C14H14O2/c1-2-16-14(15)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,2,10H2,1H3
InChI KeyXIDPSKQLXKCVQN-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
KingdomOrganic compounds
Super ClassBenzenoids
ClassNaphthalenes
Sub ClassNot Available
Direct ParentNaphthalenes
Alternative Parents
Substituents
  • Naphthalene
  • Carboxylic acid ester
  • Monocarboxylic acid or derivatives
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aromatic homopolycyclic compound
Molecular FrameworkAromatic homopolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point88.5 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Membrane
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 IDFDB010670
KNApSAcK IDNot Available
Chemspider ID56212
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound62428
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
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.. .