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 58.07825
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)
isobutane (CHEBI:30363) is a gas molecular entity (CHEBI:138675)
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
Manual Xrefs Databases
D04623 KEGG DRUG
Isobutane Wikipedia
View more database links
Registry Numbers Types Sources
1301 Gmelin Registry Number Gmelin
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
13 October 2017