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 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C4H10O2 Net Charge 0 Average Mass 90.12100 Monoisotopic Mass 90.06808 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) is a butanediol (CHEBI:52684) butane-1,3-diol (CHEBI:52683) is a glycol (CHEBI:13643) Incoming 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 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 Manual Xrefs 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 Type Source 7455861 PubMed citation Europe PMC Last Modified 17 January 2022