Pentaerythritol

Pentaerythritol
Names
	Preferred IUPAC name 2,2-Bis(hydroxymethyl)propane-1,3-diol
	Other names 2,2-Bis(hydroxymethyl)1,3-propanediol; Pentaerythritol; Hercules P 6; Monopentaerythritol; Tetramethylolmethane; THME; PETP; Pentaerythrite; Pentek; Hercules Aqualon improved technical PE-200
Identifiers
CAS Number	115-77-5 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:134760;
ChEMBL	ChEMBL3186112;
ChemSpider	7984 ;
DrugBank	DB13526;
ECHA InfoCard	100.003.732
EC Number	204-104-9;
KEGG	D08331;
PubChem CID	8285;
RTECS number	RZ2490000;
UNII	SU420W1S6N ;
CompTox Dashboard (EPA)	DTXSID2026943 ;
	InChI InChI=1S/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2 Key: WXZMFSXDPGVJKK-UHFFFAOYSA-N ; InChI=1/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2 Key: WXZMFSXDPGVJKK-UHFFFAOYAH;
	SMILES OCC(CO)(CO)CO;
Properties
Chemical formula	C5H12O4
Molar mass	136.15 g/mol
Appearance	white solid
Density	1.396 g/cm3
Melting point	260.5 °C (500.9 °F; 533.6 K)
Boiling point	276 °C (529 °F; 549 K) at 30 mmHg
Solubility in water	38.46 g/L (0°C); 47.62 g/L (10°C); 52.60 g/L (15°C); 56.60 g/L (20°C); 74.07 g/L (30°C); 115.0 g/L (40°C); 180.3 g/L (60°C); 285.7 g/L (80°C); 500.0 g/L (100°C);
Solubility	TBuOH, 15g/L (60°C); DMSO, 20g/L (25°C); Slightly soluble in:methanol, ethanol, glycerol, ethylene glycol, formamide; insoluble in: acetone, toluene, heptane, diethyl ether, dichloromethane
Vapor pressure	0.00000008 mmHg (20°C)
Hazards
Flash point	200.1 °C (392.2 °F; 473.2 K)
	NIOSH (US health exposure limits):
PEL (Permissible)	TWA 15 mg/m3 (total) TWA 5 mg/m3 (resp)
REL (Recommended)	TWA 10 mg/m3 (total) TWA 5 mg/m3 (resp)
IDLH (Immediate danger)	N.D.
Related compounds
Related compounds	Neopentane, Neopentyl alcohol, Neopentyl glycol, Trimethylolethane, Orthocarbonic acid
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Pentaerythritol is an organic compound with the formula C(CH₂OH)₄. Classified as a polyol, it is a white solid. Pentaerythritol 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 5 carbon atoms and erythritol, which also possesses 4 alcohol groups.

^ ^a ^b Nomenclature of Organic Chemistry: IUPAC Recommendations and Preferred Names 2013 (Blue Book). Cambridge: The Royal Society of Chemistry. 2014. p. 691. doi:10.1039/9781849733069-FP001. ISBN 978-0-85404-182-4.
^ Yalkowsky, Samuel H. (2010). Handbook of aqueous solubility data (Second ed.). Boca Raton, FL: CRC Press. p. 185. ISBN 9781439802465.
^ Yadav, Manish G.; Vadgama, Rajeshkumar N.; Kavadia, Monali R.; Odaneth, Annamma Anil; Lali, Arvind M. (September 2019). "Production of Pentaerythritol Monoricinoleate (PEMR) by immobilized Candida antarctica lipase B". Biotechnology Reports. 23: e00353. doi:10.1016/j.btre.2019.e00353. PMC 6599945. PMID 31304100.
^ ^a ^b ^c ^d NIOSH Pocket Guide to Chemical Hazards. "#0485". National Institute for Occupational Safety and Health (NIOSH).

[iupac2013-1] Nomenclature of Organic Chemistry: IUPAC Recommendations and Preferred Names 2013 (Blue Book). Cambridge: The Royal Society of Chemistry. 2014. p. 691. doi:10.1039/9781849733069-FP001. ISBN 978-0-85404-182-4.

[2] Yalkowsky, Samuel H. (2010). Handbook of aqueous solubility data (Second ed.). Boca Raton, FL: CRC Press. p. 185. ISBN 9781439802465.

[3] Yadav, Manish G.; Vadgama, Rajeshkumar N.; Kavadia, Monali R.; Odaneth, Annamma Anil; Lali, Arvind M. (September 2019). "Production of Pentaerythritol Monoricinoleate (PEMR) by immobilized Candida antarctica lipase B". Biotechnology Reports. 23: e00353. doi:10.1016/j.btre.2019.e00353. PMC 6599945. PMID 31304100.

[PGCH-4] NIOSH Pocket Guide to Chemical Hazards. "#0485". National Institute for Occupational Safety and Health (NIOSH).

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Pentaerythritol

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