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CHEBI:35687 - butan-2-ol

ChEBI IDCHEBI:35687
ChEBI Namebutan-2-ol
Stars
DefinitionA secondary alcohol that is butane substituted by a hydroxy group at position 2.
Last Modified9 July 2020
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC4H10O
Net Charge0
Average Mass74.123
Monoisotopic Mass74.07316
SMILESCCC(C)O
InChIInChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3
InChIKeyBTANRVKWQNVYAZ-UHFFFAOYSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
butan-2-ol (CHEBI:35687) has parent hydride butane (CHEBI:37808)
butan-2-ol (CHEBI:35687) is a secondary alcohol (CHEBI:35681)
Incoming Relation(s)
sec-butyl butyrate (CHEBI:87318) has functional parent butan-2-ol (CHEBI:35687)
(2R)-butan-2-ol (CHEBI:35686) is a butan-2-ol (CHEBI:35687)
(2S)-butan-2-ol (CHEBI:45475) is a butan-2-ol (CHEBI:35687)
IUPAC Name 
butan-2-ol
Synonyms  Source
1-methyl-1-propanolChemIDplus
1-methylpropyl alcoholNIST Chemistry WebBook
2-butanolNIST Chemistry WebBook
2-butyl alcoholChemIDplus
2-hydroxybutaneChemIDplus
butanol-2NIST Chemistry WebBook
UniProt Name  Source
butan-2-olUniProt
Manual XrefsDatabases
2-butanolWikipedia
CPD-326MetaCyc
DB02606DrugBank
HMDB0011469HMDB
Registry NumbersSources
Gmelin:1686Gmelin
Reaxys:773649Reaxys
CAS:78-92-2NIST Chemistry WebBook
CAS:78-92-2ChemIDplus
Citations