Ethane (CHEM003995)

Record Information
Version1.0
Creation Date2016-05-19 01:31:46 UTC
Update Date2026-04-17 18:57:25 UTC
Accession NumberCHEM003995
Identification
Common NameEthane
ClassSmall Molecule
Description
An alkane comprising of two carbon atoms.
Contaminant Sources
  • Clean Air Act Chemicals
  • HPV EPA Chemicals
  • STOFF IDENT Compounds
  • Sludge Chemicals
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
AethanChEBI
BimethylChEBI
C2H6ChEBI
CH3-CH3ChEBI
DimethylChEBI
EthanChEBI
Ethyl hydrideChEBI
MethylmethaneChEBI
R-170ChEBI
EthaneHMDB
Chemical FormulaC2H6
Average Molecular Mass30.069 g/mol
Monoisotopic Mass30.047 g/mol
CAS Registry Number74-84-0
IUPAC Nameethane
Traditional Nameethane
SMILESCC
InChI IdentifierInChI=1S/C2H6/c1-2/h1-2H3
InChI KeyOTMSDBZUPAUEDD-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.
KingdomOrganic compounds
Super ClassHydrocarbons
ClassSaturated hydrocarbons
Sub ClassAlkanes
Direct ParentAlkanes
Alternative ParentsNot Available
Substituents
  • Acyclic alkane
  • Alkane
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility72.6 g/LALOGPS
logP1.44ALOGPS
logP1.35ChemAxon
logS0.38ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity11 m³·mol⁻¹ChemAxon
Polarizability4.46 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0038209
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDC00012443
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkEthane
Chemspider ID6084
ChEBI ID42266
PubChem Compound ID6324
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDECMDB24186
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=12826252
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=14664856
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=16236899
4. Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.