Canmetcon
Record Information
Version1.0
Creation date2010-04-08 22:08:33 UTC
Update date2018-05-28 23:23:09 UTC
Primary IDFDB009384
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameEthylene oxide/propylene oxide copolymer, alkyl adduct
DescriptionIt is used as a food additive .
CAS Number977083-02-5
Structure
Thumb
Synonyms
SynonymSource
1,2-DihydroxyethaneChEBI
1,2-EthanediolChEBI
2-HydroxyethanolChEBI
EthanediolChEBI
GlycolChEBI
HO-CH2-CH2-OHChEBI
Monoethylene glycolChEBI
1,2 EthanediolHMDB
Glycol, monoethyleneHMDB
2 HydroxyethanolHMDB
Glycol, ethyleneHMDB
Poly(ethylene glycol)HMDB
Polyethylene oxideHMDB
Poly(ethylene oxide)HMDB
PolyoxyethyleneHMDB
Poly(oxyethylene)HMDB
PEGHMDB
PEOHMDB
POEHMDB
AlkoxHMDB
CarbowaxHMDB
Carbowax sentryHMDB
MacrogolHMDB
MiraLaxHMDB
Α,ω-hydroxypoly(ethylene oxide)HMDB
Α-hydro-ω-hydroxypoly(oxy-1,2-ethanediyl)HMDB
Α-hydro-ω-hydroxypoly(oxyethylene)HMDB
alpha,Omega-hydroxypoly(ethylene oxide)HMDB
alpha-Hydro-omega-hydroxypoly(oxy-1,2-ethanediyl)HMDB
alpha-Hydro-omega-hydroxypoly(oxyethylene)HMDB
Ethylene glycol homopolymerHMDB
Ethylene glycol polymerHMDB
Ethylene oxide polymerHMDB
Ethylene polyoxideHMDB
Ethylene glycolMeSH
Polyethylene glycolHMDB
Predicted Properties
PropertyValueSource
Water Solubility950 g/LALOGPS
logP-1.5ALOGPS
logS1.18ALOGPS
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Chemical FormulaC2H6O2
IUPAC name
InChI IdentifierInChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI KeyLYCAIKOWRPUZTN-UHFFFAOYSA-N
Isomeric SMILESOCCO
Average Molecular Weight62.0678
Monoisotopic Molecular Weight62.036779436
Classification
Description belongs to the class of organic compounds known as 1,2-diols. These are polyols containing an alcohol group at two adjacent positions.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassAlcohols and polyols
Direct Parent1,2-diols
Alternative Parents
Substituents
  • 1,2-diol
  • Hydrocarbon derivative
  • Primary alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-001i-9000000000-3f04f129d6a8c819d7bcView in MoNA
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-001i-9000000000-eaa1e5b7b88211fa7edbView in MoNA
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-001i-9000000000-dcef056f352184a24448View in MoNA
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-001i-9000000000-3f04f129d6a8c819d7bcView in MoNA
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-001i-9000000000-eaa1e5b7b88211fa7edbView in MoNA
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-001i-9000000000-dcef056f352184a24448View in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-03e9-9000000000-7d7e99366b74aa908fb5View in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positivesplash10-00di-9300000000-1cb14d2c8cf1747328ebView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-9000000000-1d69e3daf74c74648262View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-9000000000-7060d349c304512b9f75View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0002-9000000000-3bc95e388ddb6eadd69dView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-9000000000-c649f289b243e440bfa9View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03di-9000000000-7d8813644ca43096609fView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-01ox-9000000000-17eed3caf789fe508145View in MoNA
MSMass Spectrum (Electron Ionization)splash10-001i-9000000000-2fa6f85cb914a856ccc3View in MoNA
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound IDNot Available
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS ID1193
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference