Record Information
Version1.0
Creation date2010-04-08 22:05:46 UTC
Update date2020-09-17 15:35:07 UTC
Primary IDFDB003358
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameOxirane
DescriptionEthylene Oxide, also known as 1,2-epoxyethane or aethylenoxid, belongs to the class of organic compounds known as epoxides. Epoxides are compounds containing a cyclic ether with three atom rings (one oxygen and two carbon atoms). Ethylene oxide is a colorless and flammable gas with a faintly sweet odor. It is industrially produced by oxidation of ethylene in the presence of a silver catalyst. Ethylene oxide is formally rated as a carcinogen (by IARC 1) and is also a potentially toxic compound. Ethylene oxide is used for making a wide range of products. It is also used for the sterilization surgical equipment or supplies that require sterile conditions but are heat sensitive or unable to be placed inside an autoclave. Ehtylene oxide is also considered a plant growth regulator and signalling molecule, being directly linked to the maturation and senescence of some plant organs and fruits.
CAS Number75-21-8
Structure
Thumb
Synonyms
SynonymSource
1,2-EpoxyaethanChEBI
1,2-EpoxyethaneChEBI
AethylenoxidChEBI
AmproleneChEBI
AnproleneChEBI
AnprolineChEBI
DihydrooxireneChEBI
Dimethylene oxideChEBI
EpoxyethaneChEBI
Ethene oxideChEBI
Ethylene oxideChEBI
ETOChEBI
OxacyclopropaneChEBI
OxaneChEBI
OxidoethaneChEBI
Oxyde d'ethyleneChEBI
OxyfumeChEBI
Oxide, ethyleneMeSH
α,β-oxidoethanebiospider
D.E.R. 732 epoxy resinbiospider
D.E.R. 736 epoxy resinbiospider
E.o.biospider
Ethoxbiospider
Ethyleenoxidebiospider
Ethylene oxide, 8CIdb_source
Etylenu tlenekbiospider
FEMA 2433db_source
Merpolbiospider
Oxiraanbiospider
Oxiranbiospider
Oxirene, dihydro-biospider
Oxyfume 12biospider
Polypropylene glycol, (chloromethyl)oxirane polymerbiospider
Qazi-ketchambiospider
Sterilizing gas ethylene oxide 100%biospider
T-gasbiospider
Predicted Properties
PropertyValueSource
Water Solubility294 g/LALOGPS
logP-0.47ALOGPS
logP-0.047ChemAxon
logS0.82ALOGPS
pKa (Strongest Basic)-4.2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area12.53 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity11.04 m³·mol⁻¹ChemAxon
Polarizability4.42 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC2H4O
IUPAC nameoxirane
InChI IdentifierInChI=1S/C2H4O/c1-2-3-1/h1-2H2
InChI KeyIAYPIBMASNFSPL-UHFFFAOYSA-N
Isomeric SMILESC1CO1
Average Molecular Weight44.0526
Monoisotopic Molecular Weight44.02621475
Classification
Description Belongs to the class of organic compounds known as epoxides. Epoxides are compounds containing a cyclic ether with three ring atoms(one oxygen and two carbon atoms).
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassEpoxides
Sub ClassNot Available
Direct ParentEpoxides
Alternative Parents
Substituents
  • Oxacycle
  • Ether
  • Oxirane
  • Dialkyl ether
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
OntologyNo ontology term
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 54.53%; H 9.15%; O 36.32%DFC
Melting PointMp -111.7°DFC
Boiling PointBp 10.8°DFC
Experimental Water Solubility1000 mg/mL at 25 oCSCHULTZE,HC (1965)
Experimental logP-0.30HANSCH,C ET AL. (1995)
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
Densityd1010 0.88DFC
Refractive Indexn7D 1.3597DFC
Spectra
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
EI-MSMass Spectrum (Electron Ionization)splash10-00ou-9000000000-cd007c0e626a6cf3a55aSpectrum
Predicted GC-MSOxirane, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSOxirane, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-9000000000-7850335287c5b168b8bdSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-9000000000-33b13e6bd63460f9b653Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0002-9000000000-2867bc220ce9bf1b323fSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0006-9000000000-e8991e4190d018f8bd8dSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0006-9000000000-4df8eec690273990ee52Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-9000000000-a5c1cb4e821e6122d292Spectrum
NMR
TypeDescriptionView
1D NMR1H NMR SpectrumSpectrum
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDC06548
Pubchem Compound ID6354
Pubchem Substance IDNot Available
ChEBI ID27561
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB31305
CRC / DFC (Dictionary of Food Compounds) IDCWG30-E:CWG30-E
EAFUS ID1184
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDOxirane
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