Pentaerythritol, a member of the Aliphatic Alcohols category, is identified by the CAS Number 115-77-5. This organic compound, with a Molecular Weight of 136.15 g/mol, belongs to the Alcohols substance group. It has a preferred name of Pentaerythritol and an IUPAC name of 2,2-bis(hydroxymethyl)propane-1,3-diol. The molecular formula is C5H12O4, and its InChI and InChIKey are InChI=1S/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2 and WXZMFSXDPGVJKK-UHFFFAOYSA-N, respectively. The SMILES representation is C(C(CO)(CO)CO

• CAS Number: 115-77-5
• Molecular Formula: C5H12O4
• Molecular Weight: 136.15
• Exact Mass: 136.07355886
• Boiling Point: Sublimes (NIOSH, 2024)
• Melting Point: 502 °F (USCG, 1999)
• Density: Relative Vapour Density (air = 1): 4.7
• Hazard Statements:
• H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]