Propane (CHEM003550)

Record Information
Version1.0
Creation Date2014-09-05 17:11:39 UTC
Update Date2026-04-17 18:57:29 UTC
Accession NumberCHEM003550
Identification
Common NamePropane
ClassSmall Molecule
Description
Propellant and aerating agent in foods.Propane is a three-carbon alkane, normally a gas, but compressible to a transportable liquid. Propane is a by-product of natural gas processing and petroleum refining, it is commonly used as a fuel for engines, oxy-gas torches, barbecues, portable stoves and residential central heating. (Wikipedia) Propane belongs to the family of Acyclic Alkanes. These are acyclic hydrocarbons consisting only of n carbon atoms and m hydrogen atoms where m=2*n + 2.
Contaminant Sources
  • Clean Air Act Chemicals
  • Cosmetic Chemicals
  • EAFUS Chemicals
  • FooDB Chemicals
  • HPV EPA Chemicals
  • STOFF IDENT Compounds
  • Sludge Chemicals
  • T3DB toxins
Contaminant Type
  • Food Additive
  • Food Toxin
  • Fuel
  • Household Toxin
  • Industrial/Workplace Toxin
  • Metabolite
  • Organic Compound
  • Synthetic Compound
Chemical Structure
MOLSDF3D SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
CH3-CH2-CH3ChEBI
e944ChEBI
PropanChEBI
N-PropaneHMDB
Chemical FormulaC3H8
Average Molecular Mass44.096 g/mol
Monoisotopic Mass44.063 g/mol
CAS Registry Number74-98-6
IUPAC Namepropane
Traditional Namepropane
SMILESCCC
InChI IdentifierInChI=1S/C3H8/c1-3-2/h3H2,1-2H3
InChI KeyATUOYWHBWRKTHZ-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
OriginExogenous
Cellular Locations
  • Cytoplasm
  • Extracellular
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
Applications
Biological Roles
Chemical RolesNot Available
Physical Properties
StateGas
AppearanceNot Available
Experimental Properties
PropertyValue
Melting Point-189.9 °C
Boiling PointNot Available
Solubility0.0624 mg/mL at 25 °C
Predicted Properties
PropertyValueSource
Water Solubility3.13 g/LALOGPS
logP2.19ALOGPS
logP1.8ChemAxon
logS-1.2ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity15.61 m³·mol⁻¹ChemAxon
Polarizability6.34 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)No indication of carcinogenicity to humans (not listed by IARC).
Uses/SourcesPropane is a by-product of natural gas processing and petroleum refining, it is commonly used as a fuel for engines, oxy-gas torches, barbecues, portable stoves and residential central heating.
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0031630
FooDB IDFDB008273
Phenol Explorer IDNot Available
KNApSAcK IDC00000244
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkPropane
Chemspider ID6094
ChEBI ID32879
PubChem Compound ID6334
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDM2MDB005351
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.