CHEBI:37808 - butane

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ChEBI Name butane
ChEBI ID CHEBI:37808
Definition A straight chain alkane composed of 4 carbon atoms.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:44430, CHEBI:22945, CHEBI:25462
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Formula C4H10
Net Charge 0
Average Mass 58.12220
Monoisotopic Mass 58.078
InChI InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3
InChIKey IJDNQMDRQITEOD-UHFFFAOYSA-N
SMILES CCCC
Roles Classification
Biological Role(s): food propellant
A propellant that is used to expel foods from an aerosol container.
Application(s): refrigerant
A substance used in a thermodynamic heat pump cycle or refrigeration cycle that undergoes a phase change from a gas to a liquid and back. Refrigerants are used in air-conditioning systems and freezers or refrigerators and are assigned a "R" number (by ASHRAE - formerly the American Society of Heating, Refrigerating and Air Conditioning Engineers), which is determined systematically according to their molecular structure.
food propellant
A propellant that is used to expel foods from an aerosol container.
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ChEBI Ontology
Outgoing butane (CHEBI:37808) has role food propellant (CHEBI:78017)
butane (CHEBI:37808) has role refrigerant (CHEBI:78433)
butane (CHEBI:37808) is a alkane (CHEBI:18310)
butane (CHEBI:37808) is a gas molecular entity (CHEBI:138675)
Incoming 1,2,3-butanetriol (CHEBI:131388) has functional parent butane (CHEBI:37808)
(R)-butane-1,2-diol (CHEBI:52685) has parent hydride butane (CHEBI:37808)
(R)-butane-1,3-diol (CHEBI:52687) has parent hydride butane (CHEBI:37808)
(S)-butane-1,2-diol (CHEBI:52686) has parent hydride butane (CHEBI:37808)
(S)-butane-1,3-diol (CHEBI:52688) has parent hydride butane (CHEBI:37808)
1,2,4-butanetriol (CHEBI:88063) has parent hydride butane (CHEBI:37808)
1,4-diguanidinobutane (CHEBI:16652) has parent hydride butane (CHEBI:37808)
4-iminobutane-1,2,3-triol (CHEBI:111520) has parent hydride butane (CHEBI:37808)
butan-2-ol (CHEBI:35687) has parent hydride butane (CHEBI:37808)
butane-1,2-diol (CHEBI:52682) has parent hydride butane (CHEBI:37808)
butane-1,3-diol (CHEBI:52683) has parent hydride butane (CHEBI:37808)
butanediol (CHEBI:52684) has parent hydride butane (CHEBI:37808)
sec-butyl group (CHEBI:45557) is substituent group from butane (CHEBI:37808)
butyl group (CHEBI:41264) is substituent group from butane (CHEBI:37808)
tetramethylene group (CHEBI:30963) is substituent group from butane (CHEBI:37808)
IUPAC Name
butane
Synonyms Sources
butane UniProt
E 943a ChEBI
E-943a ChEBI
E943a ChEBI
n-Butan ChEBI
n-butane NIST Chemistry WebBook
N-BUTANE PDBeChem
n-C4H10 NIST Chemistry WebBook
R-600 ChEBI
Database Links Databases
Butane Wikipedia
NBU PDBeChem
View more database links
Registry Numbers Types Sources
106-97-8 CAS Registry Number ChemIDplus
106-97-8 CAS Registry Number NIST Chemistry WebBook
1148 Gmelin Registry Number Gmelin
969129 Beilstein Registry Number Beilstein
969129 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
24179026 PubMed citation Europe PMC
Last Modified
13 October 2017