butane-1,4-diol (CHEBI:41189)

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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.

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Formula

C4H10O2

Net Charge

Average Mass

90.12100

Monoisotopic Mass

90.06808

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.

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

Last Modified

06 August 2015