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CHEBI:134760 - pentaerythritol

ChEBI IDCHEBI:134760
ChEBI Namepentaerythritol
Stars
DefinitionA 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.
Last Modified23 September 2020
DownloadsMolfile
FormulaC5H12O4
Net Charge0
Average Mass136.147
Monoisotopic Mass136.07356
SMILESOCC(CO)(CO)CO
InChIInChI=1S/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2
InChIKeyWXZMFSXDPGVJKK-UHFFFAOYSA-N
Wikipedia
Roles Classification
Applications:
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.
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.
ChEBI Ontology
Outgoing Relation(s)
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  Source
tetra(hydroxymethyl)methaneDrugCentral
monopentaerythritolChemIDplus
1,1,1-tris(hydroxymethyl)ethanolDrugCentral
tetramethylolmethaneDrugCentral
2,2-bis(hydroxymethyl)-1,3-propanediolChemIDplus
methane tetramethylolChemIDplus
Brand Names  Source
AuxinutrilChemIDplus
Hercules P6ChemIDplus
Metab-AuxilChemIDplus
MaxinutrilChemIDplus
MonopentekChemIDplus
PenetekChemIDplus
Manual XrefsDatabases
2085DrugCentral
HMDB0062269HMDB
PentaerythritolWikipedia
D08331KEGG DRUG
DB13526DrugBank
3SYPDBeChem
Registry NumbersSources
Reaxys:1679274Reaxys
CAS:115-77-5ChemIDplus
CAS:115-77-5NIST Chemistry WebBook
Citations