pentaerythritol (CHEBI:134760)

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ChEBI Name	pentaerythritol

ChEBI ID	CHEBI:134760

Definition	A tetrol that is neopentane in which one of the methyl hydrogens of all four methyl groups are replaced by hydroxy groups. It is a chemical intermediate used in the production of explosives, plastics, paints, appliances, and cosmetics.

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

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Formula

C5H12O4

Net Charge

Average Mass

136.147

Monoisotopic Mass

136.07356

InChI

InChI=1S/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2

InChIKey

WXZMFSXDPGVJKK-UHFFFAOYSA-N

SMILES

OCC(CO)(CO)CO

Roles Classification
Application(s):	flame retardant Any compound that is added to manufactured materials to inhibit, suppress, or delay the production of flames and so prevent the spread of fire. laxative An agent that produces a soft formed stool, and relaxes and loosens the bowels, typically used over a protracted period, to relieve constipation. Compare with cathartic, which is a substance that accelerates defecation. A substances can be both a laxative and a cathartic.

ChEBI Ontology
Outgoing	pentaerythritol (CHEBI:134760) has parent hydride neopentane (CHEBI:30358) pentaerythritol (CHEBI:134760) has role flame retardant (CHEBI:79314) pentaerythritol (CHEBI:134760) has role laxative (CHEBI:50503) pentaerythritol (CHEBI:134760) is a primary alcohol (CHEBI:15734) pentaerythritol (CHEBI:134760) is a tetrol (CHEBI:33573)

IUPAC Name

2,2-bis(hydroxymethyl)propane-1,3-diol

Synonyms	Sources
1,1,1-tris(hydroxymethyl)ethanol	DrugCentral
2,2-bis(hydroxymethyl)-1,3-propanediol	ChemIDplus
methane tetramethylol	ChemIDplus
mono pentaerythritol	ChEBI
monopentaerythritol	ChemIDplus
pentaerythrite	ChemIDplus
PETP	ChEBI
tetra(hydroxymethyl)methane	DrugCentral
tetrahydroxymethylmethane	ChemIDplus
tetrakis(hydroxymethyl)methane	ChemIDplus
tetramethylolmethane	DrugCentral
THME	ChEBI

Last Modified

23 September 2020