Ethyl vanillin

Ethyl vanillin Description

Ethyl vanillin is a flavouring agent with flavouring power 2-4 times greater than vanillin. Ethyl vanillin is used especially in cocoa productsEthyl vanillin belongs to the family of Methoxyphenols and Derivatives. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Structure

Synonyms

Chemical Formlia

C₉H₁₀O₃ Average Molecliar Weight

166.1739 Monoisotopic Molecliar Weight

166.062994186 IUPAC Name

3-ethoxy-4-hydroxybenzaldehyde Traditional Name

ethyl vanillin CAS Registry Number

121-32-4 SMILES

InChI Identifier

InChI Key

CBOQJANXLMLOSS-UHFFFAOYSA-N Chemical Taxonomy Description

This compound belongs to the class of chemical entities known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group. Kingdom

Chemical entities Super Class

Organic compounds Class

Organic oxygen compounds Sub Class

Organooxygen compounds Direct Parent

Hydroxybenzaldehydes Alternative Parents

Substituents

Molecliar Framework

Aromatic homomonocyclic compounds External Descriptors

Ontology Status

Expected but not Quantified Origin

Biofunction

Not Available Application

Cellliar locations

Physical Properties State

Solid Experimental Properties

Predicted Properties

Spectra Spectra

Predicted GC-MS Spectrum – GC-MSNot Available GC-MS

GC-MS Spectrum – EI-Bsplash10-000i-7900000000-82021b1b58fb03cd9cc6View in MoNA GC-MS

GC-MS Spectrum – EI-Bsplash10-000i-8900000000-120b162ff2c185f413bbView in MoNA GC-MS

GC-MS Spectrum – EI-Bsplash10-000i-4900000000-5cc4d780ed9e9279561dView in MoNA Predicted LC-MS/MS

Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available Predicted LC-MS/MS

Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available Predicted LC-MS/MS

Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available Predicted LC-MS/MS

Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available Predicted LC-MS/MS

Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available Predicted LC-MS/MS

Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available 1D NMR

1H NMR SpectrumNot Available 1D NMR

13C NMR SpectrumNot Available

Biological Properties Cellliar Locations

Biofluid Locations

Not Available Tissue Location

Not Available Pathways

Not Available Normal Concentrations Not Available Abnormal Concentrations

Not Available Associated Disorders and Diseases Disease References

None Associated OMIM IDs

None External Links DrugBank ID

Not Available DrugBank Metabolite ID

Not Available Phenol Explorer Compound ID

728 Phenol Explorer Metabolite ID

Not Available FoodDB ID

FDB000841 KNApSAcK ID

Not Available Chemspider ID

8154 KEGG Compound ID

Not Available BioCyc ID

Not Available BiGG ID

Not Available Wikipedia Link

Not Available NuGOwiki Link

HMDB29665 Metagene Link

HMDB29665 METLIN ID

Not Available PubChem Compound

8467 PDB ID

Not Available ChEBI ID

48408

Product: HIF-2α-IN-1

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PMID: 26465004