CHEBI:52683 - butane-1,3-diol

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ChEBI Name butane-1,3-diol
ChEBI ID CHEBI:52683
Definition A butanediol compound having two hydroxy groups in the 1- and 3-positions.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Ulrike Wittig
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Formula C4H10O2
Net Charge 0
Average Mass 90.12100
Monoisotopic Mass 90.068
InChI InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3
InChIKey PUPZLCDOIYMWBV-UHFFFAOYSA-N
SMILES CC(O)CCO
ChEBI Ontology
Outgoing butane-1,3-diol (CHEBI:52683) has parent hydride butane (CHEBI:37808)
butane-1,3-diol (CHEBI:52683) is a butanediol (CHEBI:52684)
butane-1,3-diol (CHEBI:52683) is a glycol (CHEBI:13643)
Incoming (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 Sources
(RS)-1,3-Butandiol ChemIDplus
1,3 Butylene glycol ChemIDplus
1,3-Butandiol ChemIDplus
1,3-Butanediol SUBMITTER
1,3-Butylene glycol ChemIDplus
1,3-Butylenglykol ChemIDplus
1,3-Dihydroxybutane ChemIDplus
1-Methyl-1,3-propanediol ChemIDplus
beta-Butylene glycol ChemIDplus
Butane-1,3-diol ChemIDplus
Methyltrimethylene glycol NIST Chemistry WebBook
Database Links Databases
1,3-Butanediol Wikipedia
CPD-12276 MetaCyc
HMDB0031320 HMDB
View more database links
Registry Numbers Types Sources
107-88-0 CAS Registry Number NIST Chemistry WebBook
107-88-0 CAS Registry Number ChemIDplus
1718945 Beilstein Registry Number Beilstein
1718945 Reaxys Registry Number Reaxys
2409 Gmelin Registry Number Gmelin
Citation Waiting for Citations Type Source
7455861 PubMed citation Europe PMC
Last Modified
04 September 2014