CHEBI:41189 - butane-1,4-diol

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ChEBI Name butane-1,4-diol
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.
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Formula C4H10O2
Net Charge 0
Average Mass 90.12100
Monoisotopic Mass 90.06808
InChI InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2
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.
A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
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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)
Synonyms Sources
1,4-BD ChemIDplus
1,4-butylene glycol ChemIDplus
1,4-dihydroxybutane ChemIDplus
1,4-tetramethylene glycol ChemIDplus
tetramethylene 1,4-diol ChemIDplus
tetramethylene glycol ChemIDplus
Manual Xrefs Databases
1,4-Butanediol Wikipedia
BU1 PDBeChem
DB01955 DrugBank
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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
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17854202 PubMed citation Europe PMC
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Last Modified
06 August 2015