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Identification
YMDB IDYMDB01335
NameEthoxy ethene
SpeciesSaccharomyces cerevisiae
StrainBrewer's yeast
DescriptionEthoxy ethene is a volatile ether compound found in wine and produced during fermentation.
Structure
Thumb
Synonyms
  • 1-Ethoxyethene
  • 1-Ethoxyethylene
  • Ethene, ethoxy
  • Ether, ethyl vinyl
  • Ether, vinyl ethyl
  • Ethoxyethene
  • Ethoxyethylene
  • Ethyl ethenyl ether
  • Ethyl vinyl ether
  • Ethylene
  • Ethyloxyethene
  • EVE
  • Vinamar
  • Vinyl Ethyl ether
  • Vinyl ethyl ether, inhibited
  • Ethoxy-ethene
CAS number109-92-2
WeightAverage: 72.1057
Monoisotopic: 72.057514878
InChI KeyFJKIXWOMBXYWOQ-UHFFFAOYSA-N
InChIInChI=1S/C4H8O/c1-3-5-4-2/h3H,1,4H2,2H3
IUPAC Nameethoxyethene
Traditional IUPAC Nameethyl vinyl ether
Chemical FormulaC4H8O
SMILESCCOC=C
Chemical Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as organooxygen compounds. These are organic compounds containing a bond between a carbon atom and an oxygen atom.
KingdomOrganic compounds
Super ClassOrganooxygen compounds
ClassNot Available
Sub ClassNot Available
Direct ParentOrganooxygen compounds
Alternative Parents
Substituents
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Physical Properties
StateLiquid
Charge0
Melting point-115.8 °C
Experimental Properties
PropertyValueReference
Water Solubility10 mg/mL at 37 oC [YALKOWSKY,SH & DANNENFELSER,RM (1992)]PhysProp
LogP1.04 [HANSCH,C ET AL. (1995)]PhysProp
Predicted Properties
PropertyValueSource
Water Solubility12.4 g/LALOGPS
logP1.19ALOGPS
logP0.99ChemAxon
logS-0.76ALOGPS
pKa (Strongest Basic)-4.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area9.23 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity21.45 m³·mol⁻¹ChemAxon
Polarizability8.43 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations
  • extracellular
Organoleptic PropertiesNot Available
SMPDB PathwaysNot Available
KEGG Pathways
Cysteine and methionine metabolismec00270 Map00270
SMPDB ReactionsNot Available
KEGG ReactionsNot Available
Concentrations
Intracellular ConcentrationsNot Available
Extracellular ConcentrationsNot Available
Spectra
Spectra
References
References:
  • Tsakiris, A., Koutinas, A. A., Psarianos, C., Kourkoutas, Y., Bekatorou, A. (2010). "A new process for wine production by penetration of yeast in uncrushed frozen grapes." Appl Biochem Biotechnol 162:1109-1121.20151225
Synthesis Reference:Not Available
External Links:
ResourceLink
CHEBI ID18153
HMDB IDNot Available
Pubchem Compound ID8023
Kegg IDC06547
ChemSpider ID7732
FOODB IDNot Available
Wikipedia IDNot Available
BioCyc IDNot Available