Compound: PENTAERYTHRITOL
SMILES: OCC(CO)(CO)CO
InChIKey: WXZMFSXDPGVJKK-UHFFFAOYSA-N
Synonyms: PENTAERYTHRITOL, 115-77-5, 2,2-bis(hydroxymethyl)propane-1,3-diol, Pentek, Tetramethylolmethane, Auxinutril, Maxinutril, Monopentek, Pentaerythrite, Penetek, Metab-Auxil, Monopentaerythritol, Hercules P6, Tetrakis(hydroxymethyl)methane, 2,2-Bis(hydroxymethyl)-1,3-propanediol, Methane tetramethylol, pentaerithrityl, Tetrahydroxymethylmethane, 1,3-Propanediol, 2,2-bis(hydroxymethyl)-, Auxitrans, THME, PE 200, SU420W1S6N, DTXSID2026943, NSC-8100, DTXCID806943, CHEBI:134760, Tetrahydroxymethylolmethane, RefChem:171351, 204-104-9, 618-127-0, 859-492-8, PETP, tetra(hydroxymethyl)methane, Pentaerythritol-13C, MFCD00004692, 1,1,1-Tris(hydroxymethyl)ethanol, NSC 8100, 334974-06-0, Pentaerythrital, CAS-115-77-5, Charmor PM 15, CCRIS 2306, HSDB 872, EINECS 204-104-9, BRN 1679274, UNII-SU420W1S6N, Auxenutril, Pentaertyhritol, Hydrafuca, AI3-19571, Hercules Mono-PE, Auxitrans (TN), mono pentaerythritol, 3SY, Pentaerythritol, CP, tetramethylol methane, Pentaerythritol, 98%, Pentaerythritol, 99%, EC 204-104-9, Pentaerythritol, sodium salt, PENTAERYTHRITOL [MI], SCHEMBL15049, WLN: Q1X1Q1Q1Q, 4-01-00-02812 (Beilstein Handbook Reference), C(CH2OH)4, PENTAERYTHRITOL [HSDB], 1, 2,2-bis(hydroxymethyl)-, SCHEMBL1769202, SCHEMBL3480590, SCHEMBL3969350, PENTAERYTHRITOL [MART.], CHEMBL3186112, PENTAERYTHRITOL [WHO-DD], 1,2-Diacylglycerol-LD-PE-pool, NSC8100, Methane, tetrakis(hydroxymethyl)-,, Pentaerythritol, calcium, zinc salt, Tox21_201921, Tox21_303573, EBC-48056, SBB060192, STL483077, AKOS009166690, DB13526, FP30893, 2,2-bis-hydroxymethyl-propane-1,3-diol, NCGC00249136-01, NCGC00257496-01, NCGC00259470-01, BP-13392, 2,2-bis(hydroxymethyl)-propane-1,3-diol, NS00005658, P0039, ST51046424, EN300-29828, D08331, F214601, Q421828, F0001-0283, Z295122660, InChI=1/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H, 1632063-92-3
Theoretical properties:
molecular_formula: C5H12O4
molecular_weight: 136.15 g/mol
exact_mass: 136.07355886 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 4
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 4
heavy_atom_count: 9
topological_polar_surface_area: 80.9 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Ditetragonal crystals from dilute hydrochloric acid
color: Ditetragonal crystals from dilute hydrochloric acid
odor: Odorless
boiling_point: Sublimes (NIOSH, 2024)
melting_point: 502 °F (USCG, 1999)
density: 1.39 at 77 °F (USCG, 1999) - Denser than water; will sink
solubility: 6 % at 59 °F (NIOSH, 2024)
flash_point: About 240 °C (open cup)
vapor_pressure: 8e-08 mmHg (NIOSH, 2024)
Descriptions:
pubchem: Pentaerythritol is 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. It has a role as a laxative and a flame retardant. It is a primary alcohol and a tetrol. It derives from a hydride of a neopentane.
chebi: 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.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Pentaerythritol is an organic compound with the formula C(CH2OH)4. The molecular structure can be described as a neopentane with one hydrogen atom in each methyl group replaced by a hydroxyl (–OH) group. It is therefore a polyol, specifically a tetrol. 
Pentaerythritol is a white solid. It is a building block for the synthesis and production of explosives, plastics, paints, appliances, cosmetics, and many other commercial products.
The word pentaerythritol is a blend of penta- in reference to its five carbon atoms and erythritol, which also possesses 4 alcohol groups.