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CHEBI:52683 - butane-1,3-diol

ChEBI IDCHEBI:52683
ChEBI Namebutane-1,3-diol
Stars
DefinitionA butanediol compound having two hydroxy groups in the 1- and 3-positions.
Last Modified17 January 2022
Submitterwittigu
DownloadsMolfile
FormulaC4H10O2
Net Charge0
Average Mass90.122
Monoisotopic Mass90.06808
SMILESCC(O)CCO
InChIInChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3
InChIKeyPUPZLCDOIYMWBV-UHFFFAOYSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
butane-1,3-diol (CHEBI:52683) is a butanediol (CHEBI:52684)
butane-1,3-diol (CHEBI:52683) is a glycol (CHEBI:13643)
Incoming Relation(s)
1,3-dihydroxybutan-2-one (CHEBI:143962) has functional parent butane-1,3-diol (CHEBI:52683)
3-methoxy-1-butanol (CHEBI:189086) has functional parent butane-1,3-diol (CHEBI:52683)
(R)-butane-1,3-diol (CHEBI:52687) is a butane-1,3-diol (CHEBI:52683)
(S)-butane-1,3-diol (CHEBI:52688) is a butane-1,3-diol (CHEBI:52683)
IUPAC Name 
butane-1,3-diol
Synonyms  Source
1,3-ButandiolChemIDplus
1,3-ButanediolSUBMITTER
1,3 Butylene glycolChemIDplus
1,3-Butylene glycolChemIDplus
1,3-ButylenglykolChemIDplus
1,3-DihydroxybutaneChemIDplus
Manual XrefsDatabases
1,3-ButanediolWikipedia
CPD-12276MetaCyc
HMDB0031320HMDB
Registry NumbersSources
Reaxys:1718945Reaxys
Gmelin:2409Gmelin
CAS:107-88-0ChemIDplus
CAS:107-88-0NIST Chemistry WebBook
Citations