Pentaerythritol

Base Information Edit

Chemical Name:Pentaerythritol
CAS No.:115-77-5
Deprecated CAS:75398-86-6,88201-29-0,1889241-87-5,2014337-56-3,88201-29-0
Molecular Formula:C5H12O4
Molecular Weight:136.148
Hs Code.:29054200
European Community (EC) Number:204-104-9,859-492-8
ICSC Number:1383
NSC Number:8100
UNII:SU420W1S6N
DSSTox Substance ID:DTXSID2026943
Nikkaji Number:J5.273F
Wikipedia:Pentaerythritol
Wikidata:Q421828
RXCUI:33055
Metabolomics Workbench ID:154324
ChEMBL ID:CHEMBL3186112
Mol file:115-77-5.mol

Synonyms:Auxitrans;Hydrafuca;pentaerythritol;pentaerythritol, calcium, zinc salt;pentaerythritol, sodium salt

This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of Pentaerythritol Edit

Chemical Property:

Appearance/Colour:white crystalline solid
Vapor Pressure:<1 mm Hg ( 20 °C)
Melting Point:260.5 °C
Refractive Index:1.548
Boiling Point:380.4 °C at 760 mmHg
PKA:13.55±0.10(Predicted)
Flash Point:200.1 °C
PSA：80.92000
Density:1.396 g/cm³
LogP:-2.05800
Storage Temp.:Store below +30°C.
Sensitive.:Hygroscopic
Solubility.:H2O: 0.1 g/mL, clear, colorless
Water Solubility.:1 g/18 mL (15 ºC)
XLogP3:-2.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:136.07355886
Heavy Atom Count:9
Complexity:51.8

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 33
Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Chemical Classes:Other Classes -> Alcohols and Polyols, Other
Canonical SMILES:C(C(CO)(CO)CO)O
Inhalation Risk:A nuisance-causing concentration of airborne particles can be reached quickly when dispersed, especially if powdered.
Effects of Short Term Exposure:The substance is mildly irritating to the eyes and respiratory tract.
Uses It is mainly used in alkyd resin production, also used for manufacturing ink, lubricants, plasticizer, surface active agent, explosives and drugs raw materials. Used as a resin and synthetic fiber antistatic agent, solvent conditioner, oil, etc. Pentaerythritol is mainly used in the coating industry, is the source of alkyd resin coating, can make the coating film hardness, gloss, with improved durability, it is used as varnish, color paint and printing ink of pine resin needed raw materials, and with smoldering sex coating, drying oil and matter could be empty lubricating oil and so on. Pentaerythritol tetranitrate is a kind of high explosives (taian); The fatty acid ester is an efficient lubricant and PVC plasticizer; The epoxide production is the raw material from the raw surface active agent, pentaerythritol easy forms authority complex with metal, also as hard water softener used in detergent formulation, in addition, it can also be used in medicine, pesticide and other production. Gas chromatographic stationary liquid [highest use temperature 150 ℃, the solvent of chloroform + butyl alcohol (1:1)], separation and analysis of low boiling point oxygen-containing compounds, amine compounds, nitrogen or oxygen heterocyclic compounds. Organic synthesis, preparation, resin synthesized polyols. In the manufacture of pentaerythritol tetranitrate; alkyd resins in surface-coating compositions; pentaerythritol triacrylate and protective coatings; insecticides; pharmaceuticals Pentaerythritol is a compound most commonly used in cosmetics (in its rosinate form). It is used as a skin conditioning agent (used as part of a cream base in lotions), and is also used to increase viscosity of cosmetic formulations. Pentaerythritol is a versatile starting material to synthesize various dendrimers and star-shaped polymers. It is widely used in the preparation of flame-retardant epoxy resins and polymer composites. It is also used in the synthesis of the vasodilator, pentaerythritol tetranitrate (PETN).
Production method It is produced using formaldehyde and acetaldehyde as raw materials, in the presence of alkaline condensation agent reaction. When using sodium hydroxide as condensing agent, it is called sodium method. The molar ratio of raw materials for acetaldehyde: formaldehyde: alkali is 1.5: 6: 1.1-1.3. Adding sodium hydroxide solution to 37% formaldehyde solution, join the acetaldehyde under stirring at 25-32 oC and react for 6 to 7 h. By the neutralization filter to obtain pentaerythritol. Raw material consumption quota: formaldehyde (37%) 2880 kg/t, acetaldehyde 350 kg/t. When using calcium hydroxide as a condensing agent, it is called calcium method. The molar ratio of raw materials for acetaldehyde: formaldehyde: lime is 1: 4.7: 0.7-0.8. Add the formaldehyde solution, 20% acetaldehyde solution and 25% lime milk to reaction pot, react at 60 oC, condensate until liquid color turned to blue from gray. Gradually cooled to 45 oC in the acidification of pan. Acidificate the condensed liquid with 60-70% of the sulfuric acid to the pH of 2-2.5, then use filter airland to calcium sulfate. Filtrate through ion exchange column to remove residual calcium ion, stress concentration, keep gas temperature under 70 oC, vacuum at 77.3 kPa. Began to crystallize, transfer concentrate in the crystallizer, mixing the cooling crystallization, centrifugal separation, washed with water to the pH of 3, drying by the airflow then obtain products. The consumption of Calcium method is high, and also has the problem of "three wastes". Raw material consumption quota: formaldehyde (36.5%) 4700 kg/t, acetaldehyde 550 kg/t.

Technology Process of Pentaerythritol

There total 61 articles about Pentaerythritol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

: 50-00-0,30525-89-4,61233-19-0
formaldehyd

: 75-07-0,9002-91-9
acetaldehyde

: 115-77-5
Pentaerythritol

Guidance literature:: formaldehyd; acetaldehyde; With sodium hydroxide; In water;

With formic acid; In water; pH=5.7; Product distribution / selectivity;

Reference yield: 87.4%

: 50-00-0,30525-89-4,61233-19-0
formaldehyd

: 64-18-6
formic acid

: 75-07-0,9002-91-9
acetaldehyde

: 115-77-5
Pentaerythritol

: 126-58-9
Dipentaerythritol

: 141-53-7
sodium formate

Guidance literature:: formaldehyd; acetaldehyde; With sodium hydroxide; at 45 - 65 ℃; for 1.38333h; under 1500.15 Torr; Inert atmosphere;

formic acid; pH=6; Product distribution / selectivity;