loading...| Preferred Name |
pentaerythritol |
|
| Synonyms |
2,2-bis(hydroxymethyl)propane-1,3-diol monopentaerythritol 1,1,1-tris(hydroxymethyl)ethanol mono pentaerythritol 2,2-bis(hydroxymethyl)-1,3-propanediol tetrakis(hydroxymethyl)methane tetrahydroxymethylmethane tetramethylolmethane tetra(hydroxymethyl)methane pentaerythrite Metab-Auxil Hercules P6 methane tetramethylol Auxinutril Auxitrans Maxinutril Monopentek PETP Penetek Pentek THME |
|
| Definitions |
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. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_134760 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:403052 KEGG:D08331 PMID:32899178 PMID:30640445 HMDB:HMDB0062269 PMID:31800119 Drug_Central:2085 PMID:25409504 PDBeChem:3SY PMID:31965922 CAS:115-77-5 Wikipedia:Pentaerythritol DrugBank:DB13526 Reaxys:1679274 |
|
| 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. |
|
| formula |
C5H12O4 |
|
| has parent hydride | ||
| has role | ||
| has_exact_synonym |
2,2-bis(hydroxymethyl)propane-1,3-diol |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
monopentaerythritol 1,1,1-tris(hydroxymethyl)ethanol mono pentaerythritol 2,2-bis(hydroxymethyl)-1,3-propanediol tetrakis(hydroxymethyl)methane tetrahydroxymethylmethane tetramethylolmethane tetra(hydroxymethyl)methane pentaerythrite Metab-Auxil Hercules P6 methane tetramethylol Auxinutril Auxitrans Maxinutril Monopentek PETP Penetek Pentek THME |
|
| has_RxCUI |
33055 |
|
| id |
CHEBI:134760 |
|
| in_subset | ||
| inchi |
InChI=1S/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2 |
|
| inchikey |
WXZMFSXDPGVJKK-UHFFFAOYSA-N |
|
| label |
pentaerythritol |
|
| mass |
136.147 |
|
| monoisotopicmass |
136.07356 |
|
| notation |
CHEBI:134760 |
|
| prefLabel |
pentaerythritol |
|
| smiles |
OCC(CO)(CO)CO |
|
| subClassOf |