CHEBI:77518 - pentan-2-ol

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ChEBI Name pentan-2-ol
ChEBI ID CHEBI:77518
Definition A secondary alcohol that is pentane substituted at position 2 by a hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Jen Hammock
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Formula C5H12O
Net Charge 0
Average Mass 88.150
Monoisotopic Mass 88.08882
InChI InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3
InChIKey JYVLIDXNZAXMDK-UHFFFAOYSA-N
SMILES CC(CCC)O
Metabolite of Species Details
Starmerella bacillaris (NCBI:txid1247836) From MetaboLights See: MetaboLights Study
Vitis vinifera (NCBI:txid29760) From MetaboLights See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed
Roles Classification
Chemical Role(s): polar solvent
A solvent that is composed of polar molecules. Polar solvents can dissolve ionic compounds or ionisable covalent compounds.
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): polar solvent
A solvent that is composed of polar molecules. Polar solvents can dissolve ionic compounds or ionisable covalent compounds.
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ChEBI Ontology
Outgoing pentan-2-ol (CHEBI:77518) has parent hydride pentane (CHEBI:37830)
pentan-2-ol (CHEBI:77518) has role metabolite (CHEBI:25212)
pentan-2-ol (CHEBI:77518) has role polar solvent (CHEBI:48354)
pentan-2-ol (CHEBI:77518) is a pentanol (CHEBI:143597)
pentan-2-ol (CHEBI:77518) is a secondary alcohol (CHEBI:35681)
Incoming (S)-1'-methylbutyl caffeate (CHEBI:70482) has functional parent pentan-2-ol (CHEBI:77518)
IUPAC Name
pentan-2-ol
Synonyms Sources
1-Methyl-1-butanol ChemIDplus
1-Methylbutanol HMDB
2-Hydroxypentane ChemIDplus
2-pentanol ChEBI
2-Pentyl alcohol ChemIDplus
alpha-Methylbutanol ChemIDplus
Methyl propyl carbinol ChemIDplus
Methylpropylcarbinol HMDB
n-C3H7CH(OH)CH3 NIST Chemistry WebBook
Pentanol-2 NIST Chemistry WebBook
sec-Amyl alcohol ChemIDplus
sec-n-Amyl alcohol NIST Chemistry WebBook
Sec-pentanol HMDB
sec-Pentyl alcohol ChemIDplus
Manual Xrefs Databases
2-Pentanol Wikipedia
HMDB0031599 HMDB
View more database links
Registry Numbers Types Sources
1718819 Reaxys Registry Number Reaxys
1718819 Beilstein Registry Number ChemIDplus
6032-29-7 CAS Registry Number ChemIDplus
6032-29-7 CAS Registry Number NIST Chemistry WebBook
Last Modified
09 May 2019