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Identification
YMDB IDYMDB01369
Name1,1-Diethoxy ethane
SpeciesSaccharomyces cerevisiae
StrainBrewer's yeast
Description1,1-Diethoxyethane, also known as delrin 100 or diaethylacetal, belongs to the class of organic compounds known as acetals. These are organic compounds containing the acetal functional group. 1,1-Diethoxyethane is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
Thumb
Synonyms
  • 1, 1-Diethoxyethane
  • 1,1-Diaethoxy-aethan
  • 1,1-Diethoxy-ethaan
  • 1,1-Diethoxyacetal
  • 1,1-Diethoxyethane
  • 1,1-Dietossietano
  • Acetal
  • acetal (acetaldehyde diethyl acetal)
  • Acetaldehyde diethyl acetal
  • Acetaldehyde, diethyl acetal
  • Acetale
  • Acetol
  • AT-20GF
  • bimethyl
  • Cadco acetal
  • Capsicum annuum l
  • Diaethylacetal
  • diethoxy-1,1-ethane
  • Diethyl acetal
  • dimethyl
  • Ethan
  • ETHANE
  • Ethane, 1,1-diethoxy-
  • ethyl hydride
  • Ethylidene diethyl ether
  • Ethylidine diethyl ether
  • methylmethane
  • 1,1-Diethoxy-ethane
  • Acetaal
  • Acetal diethylique
  • Acetal homopolymer resin
  • Acetal resin
  • Acetaldehyde ethyl acetal
  • Aceton NS
  • Acetron GP
  • CH3CH(OC2H5)2
  • Delrin 100
  • Delrin 100af, 500af
  • Delrin 100ST
  • Delrin 107
  • Delrin 150Sa
  • Delrin 500
  • Delrin 500T
  • Delrin 507
  • Delrin 550Sa
  • Delrin 570
  • Delrin 900
  • Delrin af blend
  • Diethoxy-ethane
  • Diethylacetal
  • Electrafil J-80/cf/10/tf/10
  • Ethane, 1,1-diethoxy-, homopolymer
  • Ethylidenediethyl ether
  • FEMA 2002
  • Polyacetal
  • Thermocomp KB-1008
  • 1,1- Diethoxyethane
CAS number75-07-0
WeightAverage: 118.1742
Monoisotopic: 118.099379692
InChI KeyDHKHKXVYLBGOIT-UHFFFAOYSA-N
InChIInChI=1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3
IUPAC Name1,1-diethoxyethane
Traditional IUPAC Name1,1-diethoxyethane
Chemical FormulaC6H14O2
SMILESCCOC(C)OCC
Chemical Taxonomy
Description belongs to the class of organic compounds known as acetals. These are organic compounds containing the acetal functional group.
KingdomOrganic compounds
Super ClassOrganooxygen compounds
ClassEthers
Sub ClassAcetals
Direct ParentAcetals
Alternative ParentsNot Available
SubstituentsNot Available
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Physical Properties
StateLiquid
Charge0
Melting point-123 °C
Experimental Properties
PropertyValueReference
Water Solubility1000 mg/mL at 25 oC [RIDDICK,JA et al. (1986)]PhysProp
LogP-0.34 [TSCATS]PhysProp
Predicted Properties
PropertyValueSource
Water Solubility27.4 g/LALOGPS
logP1.19ALOGPS
logP1.13ChemAxon
logS-0.64ALOGPS
pKa (Strongest Basic)-4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area18.46 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity33.2 m³·mol⁻¹ChemAxon
Polarizability14.11 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 PathwaysNot Available
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 ID15343
HMDB IDHMDB00990
Pubchem Compound ID7765
Kegg IDNot Available
ChemSpider ID13835836
FOODB IDFDB008296
WikipediaAcetaldehyde
BioCyc IDACETALD