CHEBI:41189 - butane-1,4-diol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name butane-1,4-diol
ChEBI ID CHEBI:41189
Definition A butanediol that is butane in which one hydrogen of each of the methyl groups is substituted by a hydroxy group. A colourless, water-miscible, viscous liquid at room temperature (m.p. 16°C) with a high boiling point (230°C), it is mainly used for the production of other organic chemicals, particularly the solvent oxolane (also known as tetrahydrofuran or THF).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C4H10O2
Net Charge 0
Average Mass 90.12100
Monoisotopic Mass 90.068
InChI InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2
InChIKey WERYXYBDKMZEQL-UHFFFAOYSA-N
SMILES OCCCCO
Roles Classification
Chemical Role(s): protic solvent
A polar solvent that is capable of acting as a hydron (proton) donor.
Biological Role(s): neurotoxin
A poison that interferes with the functions of the nervous system.
Application(s): protic solvent
A polar solvent that is capable of acting as a hydron (proton) donor.
prodrug
A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing butane-1,4-diol (CHEBI:41189) has role neurotoxin (CHEBI:50910)
butane-1,4-diol (CHEBI:41189) has role prodrug (CHEBI:50266)
butane-1,4-diol (CHEBI:41189) has role protic solvent (CHEBI:48356)
butane-1,4-diol (CHEBI:41189) is a butanediol (CHEBI:52684)
butane-1,4-diol (CHEBI:41189) is a glycol (CHEBI:13643)
Incoming 1,4-diacetoxybutane (CHEBI:87345) has functional parent butane-1,4-diol (CHEBI:41189)
busulfan (CHEBI:28901) has functional parent butane-1,4-diol (CHEBI:41189)
naproxcinod (CHEBI:76254) has functional parent butane-1,4-diol (CHEBI:41189)
secoisolariciresinol (CHEBI:67250) has functional parent butane-1,4-diol (CHEBI:41189)
IUPAC Name
butane-1,4-diol
Synonyms Sources
1,4-BD ChemIDplus
1,4-BUTANEDIOL PDBeChem
1,4-butylene glycol ChemIDplus
1,4-dihydroxybutane ChemIDplus
1,4-tetramethylene glycol ChemIDplus
HO(CH2)4OH ChEBI
HOCH2CH2CH2CH2OH ChEBI
tetramethylene 1,4-diol ChemIDplus
tetramethylene glycol ChemIDplus
Database Links Databases
1,4-Butanediol Wikipedia
BU1 PDBeChem
DB01955 DrugBank
View more database links
Registry Numbers Types Sources
110-63-4 CAS Registry Number NIST Chemistry WebBook
110-63-4 CAS Registry Number ChemIDplus
1633445 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11803699 PubMed citation Europe PMC
15298490 PubMed citation Europe PMC
16193534 PubMed citation Europe PMC
17854202 PubMed citation Europe PMC
18203723 PubMed citation Europe PMC
19915428 PubMed citation Europe PMC
20112336 PubMed citation Europe PMC
21548140 PubMed citation Europe PMC
21602812 PubMed citation Europe PMC
Last Modified
06 August 2015