CHEBI:30363 - isobutane

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ChEBI Name isobutane
ChEBI ID CHEBI:30363
Definition An alkane that is propane substituted by a methyl group at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C4H10
Net Charge 0
Average Mass 58.12220
Monoisotopic Mass 58.078
InChI InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3
InChIKey NNPPMTNAJDCUHE-UHFFFAOYSA-N
SMILES CC(C)C
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 isobutane (CHEBI:30363) has role food propellant (CHEBI:78017)
isobutane (CHEBI:30363) has role refrigerant (CHEBI:78433)
isobutane (CHEBI:30363) is a alkane (CHEBI:18310)
Incoming 2-hydroxy-2-methylpropanal (CHEBI:131846) has parent hydride isobutane (CHEBI:30363)
2-methylpropane-1,2-diol (CHEBI:131845) has parent hydride isobutane (CHEBI:30363)
tert-butanol (CHEBI:45895) has parent hydride isobutane (CHEBI:30363)
isobutanol (CHEBI:46645) has parent hydride isobutane (CHEBI:30363)
tert-butyl group (CHEBI:30355) is substituent group from isobutane (CHEBI:30363)
isobutyl group (CHEBI:30356) is substituent group from isobutane (CHEBI:30363)
IUPAC Names
2-methylpropane
isobutane
Synonyms Sources
(CH3)2CH‒CH3 IUPAC
E943b ChEBI
R-600a ChEBI
Database Links Databases
D04623 KEGG DRUG
Isobutane Wikipedia
View more database links
Registry Numbers Types Sources
1301 Gmelin Registry Number Gmelin
1730720 Beilstein Registry Number Beilstein
1730720 Reaxys Registry Number Reaxys
75-28-5 CAS Registry Number ChemIDplus
75-28-5 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
24179026 PubMed citation Europe PMC
24464945 PubMed citation Europe PMC
Last Modified
02 June 2016