propane-1,3-diol (CHEBI:16109)

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ChEBI Name	propane-1,3-diol

ChEBI ID	CHEBI:16109

Definition	The simplest member of the class of propane-1,3-diols, consisting of propane in which one hydrogen from each methyl group is substituted by a hydroxy group. A colourless, viscous, water-miscible liquid with a high (210°C) boiling point, it is used in the synthesis of certain polymers and as a solvent and antifreeze.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:8471, CHEBI:44868, CHEBI:14902, CHEBI:26286

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Formula

C3H8O2

Net Charge

Average Mass

76.09442

Monoisotopic Mass

76.05243

InChI

InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2

InChIKey

YPFDHNVEDLHUCE-UHFFFAOYSA-N

SMILES

OCCCO

Roles Classification
Chemical Role(s):	protic solvent A polar solvent that is capable of acting as a hydron (proton) donor.

Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

Application(s):	protic solvent A polar solvent that is capable of acting as a hydron (proton) donor.

ChEBI Ontology
Outgoing	propane-1,3-diol (CHEBI:16109) has role metabolite (CHEBI:25212) propane-1,3-diol (CHEBI:16109) has role protic solvent (CHEBI:48356) propane-1,3-diol (CHEBI:16109) is a propane-1,3-diols (CHEBI:26287)

Incoming	1,3-diacetoxypropane (CHEBI:87360) has functional parent propane-1,3-diol (CHEBI:16109) propamidine (CHEBI:87462) has functional parent propane-1,3-diol (CHEBI:16109) 3-hydroxypropoxy group (CHEBI:43141) is substituent group from propane-1,3-diol (CHEBI:16109)

IUPAC Name

propane-1,3-diol

Last Modified

13 August 2015