Ethyl ether (CHEM000221)

Record Information
Version1.0
Creation Date2009-03-06 18:58:22 UTC
Update Date2026-05-14 19:35:05 UTC
Accession NumberCHEM000221
Identification
Common NameEthyl ether
ClassSmall Molecule
Description
Diethyl ether, also known as ether and ethoxyethane, is a clear, colorless, and highly flammable liquid with a low boiling point and a characteristic odor. It is the most common member of a class of chemical compounds known generically as ethers. Diethyl ether is used as a common solvent and has been used as a general anesthetic. It can also be found in recreational drug use. (5)
Contaminant Sources
  • Clean Air Act Chemicals
  • DEA Chemicals
  • FooDB Chemicals
  • HPV EPA Chemicals
  • STOFF IDENT Compounds
  • T3DB toxins
Contaminant Type
  • Ether
  • Household Toxin
  • Industrial/Workplace Toxin
  • Lachrymator
  • Organic Compound
  • Solvent
  • Synthetic Compound
Chemical Structure
MOLSDF3D SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
1,1'-OxybisethaneChEBI
3-OxapentaneChEBI
AetherChEBI
Aether pro narcosiChEBI
Anesthetic etherChEBI
Diethyl oxideChEBI
DiethylaetherChEBI
EtherChEBI
EthoxyethaneChEBI
Ethyl etherChEBI
Ethyl oxideChEBI
PronarcolChEBI
R-610ChEBI
Diethyl etherKegg
Ether, diethylHMDB
Ether, ethylHMDB
Chemical FormulaC4H10O
Average Molecular Mass74.122 g/mol
Monoisotopic Mass74.073 g/mol
CAS Registry Number60-29-7
IUPAC Nameethoxyethane
Traditional Namediethyl ether
SMILESCCOCC
InChI IdentifierInChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3
InChI KeyRTZKZFJDLAIYFH-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassEthers
Direct ParentDialkyl ethers
Alternative Parents
Substituents
  • Dialkyl ether
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Cytoplasm
  • Extracellular
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
Applications
Biological RolesNot Available
Chemical Roles
Physical Properties
StateLiquid
AppearanceNot Available
Experimental Properties
PropertyValue
Melting Point-116.3°C
Boiling Point34.6°C
Solubility60.4 mg/mL at 25°C [RIDDICK,JA et al. (1986)]
Predicted Properties
PropertyValueSource
Water Solubility39 g/LALOGPS
logP1.12ALOGPS
logP0.84ChemAxon
logS-0.28ALOGPS
pKa (Strongest Basic)-4.1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area9.23 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity22.51 m³·mol⁻¹ChemAxon
Polarizability9.33 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Toxicity Profile
Route of ExposureOral (6) ; inhalation (6)
Mechanism of ToxicityDiethyl ether inhibits alcohol dehydrogenase. This slows down the metabolism of ethanol and also inhibits the metabolism of other drugs requiring oxidative metabolism. (5, 3)
MetabolismDiethyl ether can be absorbed following ingestion and inhalation, and is then rapidly distributed to the brain and fatty tissues. Diethyl ether is not metabolized in humans and is excreted mainly in expired air. (6)
Toxicity ValuesLD50: 996 mg/kg (Intravenous, Mouse) (4) LD50: 2420 mg/kg (Intraperitoneal, Mouse) (4) LD50: 1213 mg/kg (Oral, Rat) (2) LC50: 186 mg/L (Inhalation, Mouse) (1)
Lethal Dose30 mL for an adult human. (6)
Carcinogenicity (IARC Classification)No indication of carcinogenicity to humans (not listed by IARC).
Uses/SourcesDiethyl ether is used as a common solvent and has been used as a general anesthetic. It can also be found in recreational drug use. (5)
Minimum Risk LevelNot Available
Health EffectsDiethyl ether causes CNS depression. Death due to respiratory depression may result from severe and prolonged exposure. (6)
SymptomsInhalation may result in dizziness, giddiness, euphoria, drowsiness, salivation, and CNS depression. Diethyl ether is also a skin and eye irritant. (6)
TreatmentThere is no antidote for diethyl ether poisoning, thus treatment is symptomatic and supportive. (6)
Concentrations
Not Available
External Links
DrugBank IDDB13598
HMDB IDHMDB0062326
FooDB IDFDB004482
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkDiethyl_ether
Chemspider IDNot Available
ChEBI ID35702
PubChem Compound ID3283
Kegg Compound IDC13240
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=24443836