Pentaerythritol
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. — ChEBI
Safety documents & references
1 indexed referencesFind a product-specific SDS
Safety guides and government classification records are not a manufacturer’s SDS. Match supplier, product number, concentration, physical form, region and revision before using a document.
Identity & molecular properties
Source-linked values| CAS number | 115-77-5 | ChEBI ↗ |
| Molecular formula | C5H12O4 | ChEBI ↗ |
| Molar mass | 136.147 g/mol | ChEBI ↗ |
| Monoisotopic mass | 136.07356 Da | ChEBI ↗ |
| Formal charge | 0 | ChEBI ↗ |
| ChEBI identifier | CHEBI:134760 | ChEBI ↗ |
Cross-source molecular data
PubChem| Molar mass | 136.15 g/mol | PubChem ↗ |
| Exact mass | 136.07355886 Da | PubChem ↗ |
| Computed XLogP | -2.4 | PubChem ↗ |
| Topological polar surface area (Ų) | 80.9 | PubChem ↗ |
| H-bond donors | 4 | PubChem ↗ |
| H-bond acceptors | 4 | PubChem ↗ |
| Rotatable bonds | 4 | PubChem ↗ |
PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.
Names & structural identifiers
Copy any identifierpentaerythritol2,2-bis(hydroxymethyl)propane-1,3-diolWXZMFSXDPGVJKK-UHFFFAOYSA-NOCC(CO)(CO)COInChI=1S/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2Names & synonyms
Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.
Classification & relationships
ChEBI ontologyRoles recorded in ChEBI
Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.
Mass ↔ amount of substance
Calculated from sourced massUses 136.147 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.
Elemental composition
Theoretical mass fractionsOCHCalculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.
Research & patent references
Selected source associationsSources & record history
Checked 27 Sep 2026Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0
PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.