pentaerythritol supplier | CasNO.115-77-5

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Name
Pentaerythritol
EINECS 204-104-9
CAS No. 115-77-5
Article Data119
CAS DataBase
Density 1.396 g/cm³
Solubility 1 g/18 mL (15 °C) in water
Melting Point 260.5 °C
Formula C₅H₁₂O₄
Boiling Point 380.4 °C at 760 mmHg
Molecular Weight 136.148
Flash Point 200.1 °C
Transport Information
Appearance white crystalline solid
Safety 24/25
Risk Codes 33
Molecular Structure
Hazard Symbols
Synonyms Pentaerythritol Tech Grade;Tetrahydroxymethylmethane;1,3-propanediol, 2,2-bis(hydroxymethyl)-;Methane tetramethylol;Pentaerythrite;Pentaerythritol(PE);Pentaerythritol, technical grade;Petaerythritol;Mo-pentaerythritol;New plasticizer Polyol benzoate;Sell Pentaerythritol;pentaerythritol (mono-penta);Mono- Pentaerythritol;Pentaerythritol;;Pentaerythritol(Micronized);Pentaerythritol for Sale;Pentaerithritol;Penetek;Pentek;1,3-Propanediol, 2, 2-bis (hydroxymethyl)-;2,2-bis(hydroxymethyl)propane-1,3-diol;Tetramethylolmethane;1,3-Propanediol,2,2-bis(hydroxymethyl)-;2,2-Bishydroxymethyl-1,3-propanediol;Tetrakis(hydroxymethyl)methane;Mono Pentaerythritol;
PSA 80.92000
LogP -2.05800

Synthetic route

: 50-00-0
formaldehyd

: 64-18-6
formic acid

: 75-07-0
acetaldehyde

A: 115-77-5
Pentaerythritol

B: 126-58-9
Dipentaerythritol

C: 141-53-7
sodium formate

Conditions

Conditions	Yield
Stage #1: formaldehyd; acetaldehyde With sodium hydroxide at 45 - 65℃; under 1500.15 Torr; for 1.38333h; Inert atmosphere; Stage #2: formic acid pH=6; Product distribution / selectivity;	A 87.4% B 5% C 99.7%

...Expand

: 50-00-0
formaldehyd

: 75-07-0
acetaldehyde

: 115-77-5
Pentaerythritol

Conditions

Conditions	Yield
Stage #1: formaldehyd; acetaldehyde With sodium hydroxide In water Stage #2: With formic acid In water pH=5.7; Product distribution / selectivity;	90%
With ortho-tungstic acid; calcium hydroxide In water at 30 - 48℃; for 1.16667h; Reagent/catalyst;	7.7%
With sodium hydroxide at 10℃; for 4.16667h; Product distribution; pH=12.7; different reaction times;

: 6228-26-8
Formaldehyd-bis(pentaerythrityl)acetal

A: 6228-25-7
5,5-bis-hydroxymethyl-[1,3]dioxane

B: 115-77-5
Pentaerythritol

Conditions

Conditions	Yield
With hydrogenchloride at 80℃; for 2h; Title compound not separated from byproducts;	A 33.8 % Chromat. B 65%
With hydrogenchloride at 80℃; for 0.166667h; Title compound not separated from byproducts;	A 9.3 % Chromat. B 88.6 % Chromat.
With hydrogenchloride at 60℃; for 2h; Product distribution; further temperatures: 23, 40, 80 deg C; different times: 10, 20, 30, 60, 120 min;	A 21.9 % Chromat. B 76.8 % Chromat.

: 50-00-0
formaldehyd

: 78-97-7
2-hydroxy-propionitrile

: 115-77-5
Pentaerythritol

Conditions

Conditions	Yield
With sodium hydroxide; water

: 50-00-0
formaldehyd

: 107-89-1
acetaldol

: 115-77-5
Pentaerythritol

Conditions

Conditions	Yield
With lead(II) hydroxide on calcium carbonate; water
With calcium hydroxide; water

: 50-00-0
formaldehyd

: 2134-29-4
3-Hydroxypropanal

: 115-77-5
Pentaerythritol

Conditions

Conditions	Yield
With sodium hydroxide; water in mehreren Stufen;

: 5419-74-9
pentaerythritol bisacetate

A: 115-77-5
Pentaerythritol

B: 13051-30-4
pentaerythritol triacetate

C: 597-71-7
pentaerythritol tetracetate

Conditions

Conditions	Yield
beim Aufbewahren;

...Expand

: 50-00-0
formaldehyd

: 75-07-0
acetaldehyde

A: 115-77-5
Pentaerythritol

B: 6228-26-8
Formaldehyd-bis(pentaerythrityl)acetal

Conditions

Conditions	Yield
With methyllithium Title compound not separated from byproducts;
With methyllithium; ethyl acetate 2) 1 h, reflux; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts;
als Nebenprodukt bei der Darstellung von Pentaerythrit; Isolierung aus technischen Pentaerytrit;

...Expand

: 50-00-0
formaldehyd

: 75-07-0
acetaldehyde

A: 115-77-5
Pentaerythritol

B: 126-58-9
Dipentaerythritol

Conditions

Conditions	Yield
With alkali Trennung ueber die Salpersaeureester;
With alkali Trennung von Pentaerythrit ueber die Salpetersaeureester;
With calcium hydroxide; water at 20℃;

...Expand

: 50-00-0
formaldehyd

: 107-02-8
acrolein

: 115-77-5
Pentaerythritol

Conditions

Conditions	Yield
With calcium hydroxide; water

: 50-00-0
formaldehyd

: 123-73-9
crotonaldehyde

: 115-77-5
Pentaerythritol

Conditions

Conditions	Yield
With calcium hydroxide; water

: 50-00-0
formaldehyd

: 115-77-5
Pentaerythritol

Conditions

Conditions	Yield
2-(Diethylamino)ethanol In water at 100℃; for 20h; Product distribution;
2-(Diethylamino)ethanol In water at 100℃; for 20h;
With sodium hydroxide In water at 25℃; for 3h; Irradiation;
With potassium carbonate 1.) H2O, 20 deg C, 10 h, irradiation, 2.) 25 deg C, 7-14 d; Yield given. Multistep reaction;

: 50-00-0
formaldehyd

A: 64-18-6
formic acid

B: 115-77-5
Pentaerythritol

C: 107-21-1
ethylene glycol

Conditions

Conditions	Yield
calcium hydroxide In water at 25℃; Irradiation;
calcium hydroxide In water at 25℃; Product distribution; Irradiation; various inorganic catalysts;

...Expand

: 50-00-0
formaldehyd

A: 79-14-1
glycolic Acid

B: 115-77-5
Pentaerythritol

C: 909878-64-4
meso-erythritol

D: 473-81-4
glyceric acid

E: 107-21-1
ethylene glycol

F: 56-81-5
glycerol

Conditions

Conditions	Yield
With zeolite of type X under 1 Torr; for 144h; Product distribution; Irradiation; other objects of study: dependence of product distribution on time of irradiation, thermal pretreatment of zeolite, and water content of zeolite;

...Expand

: 6228-26-8
Formaldehyd-bis(pentaerythrityl)acetal

A: 6228-25-7
5,5-bis-hydroxymethyl-[1,3]dioxane

B: 50-00-0
formaldehyd

C: 115-77-5
Pentaerythritol

Conditions

Conditions	Yield
Heating; heating more than 149 deg C;

...Expand

: 50-00-0
formaldehyd

: 75-07-0
acetaldehyde

A: 68516-39-2
2,2-di(hydroxymethyl)-acetic acid

B: 115-77-5
Pentaerythritol

C: 4704-94-3
2-hydroxymethyl-1,3-propanediol

D: 2831-90-5
α,α,α-tris(hydroxymethyl)acetic acid

E: 68658-38-8
2-Hydroxymethyl-2-(methoxymethoxymethyl)-1,3-propandiol

F: 504-63-2
trimethyleneglycol

Conditions

Conditions	Yield
With calcium hydroxide Mechanism;

...Expand

: 50-00-0
formaldehyd

: 75-07-0
acetaldehyde

A: 115-77-5
Pentaerythritol

B: 3818-32-4
tri(hydroxymethyl)acetaldehyde

C: 126-58-9
Dipentaerythritol

D: 78-24-0
tripentaerythritol

E: 3-(3-Hydroxy-2,2-bis-hydroxymethyl-propoxy)-2,2-bis-hydroxymethyl-propionaldehyde

F: 3-[3-(3-Hydroxy-2,2-bis-hydroxymethyl-propoxy)-2,2-bis-hydroxymethyl-propoxy]-2,2-bis-hydroxymethyl-propionaldehyde

Conditions

Conditions	Yield
With sodium hydroxide at 30℃; Product distribution; Mechanism; pH=12.5; different initial acetaldehyde concentrations;

...Expand

: 50-00-0
formaldehyd

: 75-07-0
acetaldehyde

A: 115-77-5
Pentaerythritol

B: 107-89-1
acetaldol

C: 126-58-9
Dipentaerythritol

Conditions

Conditions	Yield
With sodium hydroxide at 10℃; for 5h; Product distribution; Mechanism; different initial aldehyde concentrations and reaction times; effect of additional pentaerythritol;

...Expand

: 50-00-0
formaldehyd

: 75-07-0
acetaldehyde

A: 115-77-5
Pentaerythritol

B: 2134-29-4
3-Hydroxypropanal

C: 40364-80-5
bis-(hydroxymethyl)-acetaldehyde

Conditions

Conditions	Yield
With sodium hydrogencarbonate at 30℃; for 2.5h; Product distribution;

...Expand

: 50-00-0
formaldehyd

: 75-07-0
acetaldehyde

A: 115-77-5
Pentaerythritol

B: 4376-78-7
Tetrapentaerythrit 2,2,6,6,10,10,14,14-Octakis(hydroxymethyl)-4,8,12-trioxapentadecan-1,15-diol

Conditions

Conditions	Yield
With methyllithium Yield given. Title compound not separated from byproducts;

...Expand

: 50-00-0
formaldehyd

: 75-07-0
acetaldehyde

A: 115-77-5
Pentaerythritol

B: 2163-42-0
2-methyl-1.3-propanediol

C: 4704-94-3
2-hydroxymethyl-1,3-propanediol

D: 504-63-2
trimethyleneglycol

Conditions

Conditions	Yield
With sodium hydroxide; sulfuric acid; hydrogen; 5% activated charcoal-supported ruthenium catalyst 1.) 25 deg C, 30 min, 2.) 50 psi, 25 deg C, 4 h; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts;
With sodium hydroxide; sulfuric acid; hydrogen; Ru-carbon 1.) 25 deg C, 30 min, 2.) 50 psi, 25 deg C 4 h; Yield given. Multistep reaction. Yields of byproduct given;

...Expand

: 50-00-0
formaldehyd

: 7732-18-5
water

: 107-02-8
acrolein

Ca(OH)2: Ca(OH)2

: 115-77-5
Pentaerythritol

...Expand

: 50-00-0
formaldehyd

: 7732-18-5
water

: 123-73-9
crotonaldehyde

Ca(OH)2: Ca(OH)2

: 115-77-5
Pentaerythritol

...Expand

: 50-00-0
formaldehyd

: 7732-18-5
water

: 75-07-0
acetaldehyde

lime/chalk/: lime/chalk/

: 115-77-5
Pentaerythritol

Conditions

Conditions	Yield
bei monatelangem Stehen;

...Expand

: 50-00-0
formaldehyd

: 75-07-0
acetaldehyde

Ca(OH)2: Ca(OH)2

A: 115-77-5
Pentaerythritol

B: 126-58-9
Dipentaerythritol

Conditions

Conditions	Yield
je nach Bedingungen wechselnden Mengen;

...Expand

: 50-00-0
formaldehyd

: 75-07-0
acetaldehyde

aqueous NaOH-solution: aqueous NaOH-solution

: 115-77-5
Pentaerythritol

Conditions

Conditions	Yield
at 0 - 40℃; Kinetics;

...Expand

: 50-00-0
formaldehyd

: 107-02-8
acrolein

calcium hydroxide: calcium hydroxide

: 115-77-5
Pentaerythritol

...Expand

: 50-00-0
formaldehyd

: 75-07-0
acetaldehyde

lime milk: lime milk

A: 115-77-5
Pentaerythritol

B: 126-58-9
Dipentaerythritol

...Expand

: 67-56-1
methanol

: 50-00-0
formaldehyd

: 75-07-0
acetaldehyde

A: 115-77-5
Pentaerythritol

B monomethyl ether of pentaerythritol: monomethyl ether of pentaerythritol

C dimethyl ether of pentaerythritol: dimethyl ether of pentaerythritol

...Expand

: 50-00-0
formaldehyd

: 75-07-0
acetaldehyde

A: 115-77-5
Pentaerythritol

B: 6228-26-8
Formaldehyd-bis(pentaerythrityl)acetal

C: 126-58-9
Dipentaerythritol

D various other products: various other products

Conditions

Conditions	Yield
In water at 10℃; Rate constant; Mechanism; Product distribution; and equilibrium constants;

...Expand

: 115-77-5
Pentaerythritol

: 108-94-1
cyclohexanone

: 183-10-8
7,11,18,21-tetraoxa-trispiro[5.2.2.5.2.2]heneicosane

Conditions

Conditions	Yield
With sulfuric acid at 80℃;	100%
With pyrographite In toluene for 8h; Heating;	94%
peroxodisulfate ion; zirconium(IV) oxide In toluene for 4h; Heating;	94%

: 115-77-5
Pentaerythritol

: 78-84-2
isobutyraldehyde

: 69695-04-1
3,9-diisopropyl-2,4,8,10-tetraoxaspiro<5.5>undecane

Conditions

Conditions	Yield
With sulfuric acid at 80℃;	100%
With indium(III) chloride at 120℃; for 3h;	89%
With hydrogenchloride

: 115-77-5
Pentaerythritol

: 107-13-1
acrylonitrile

: 2465-91-0
tetrakis-[(2-cyanoethoxy)methyl]methane

Conditions

Conditions	Yield
In diethyl ether; dichloromethane; tetramethyl ammoniumhydroxide; water	100%
tetramethyl ammoniumhydroxide In water at 20℃; for 20h; Cooling with ice;	100%
With sodium hydroxide Ambient temperature;	99%

: 115-77-5
Pentaerythritol

: 170996-99-3
[2,2-bis(trifluoromethyl)-5-oxo-1,3-oxathiolan-4-yl]-acetyl chloride

Conditions

Conditions	Yield
In toluene for 72h; Heating;	100%

: 115-77-5
Pentaerythritol

: 103-71-9
phenyl isocyanate

: 125614-20-2
tetrakis[(N-phenylcarbamoyloxy)methyl]methane

Conditions

Conditions	Yield
With MoCl2O2(dmf)2 In N,N-dimethyl-formamide at 60℃; for 0.333333h; Inert atmosphere;	100%

: 115-77-5
Pentaerythritol

: 818-08-6
di(n-butyl)tin oxide

: 111190-92-2
C13H28O4Sn

Conditions

Conditions	Yield
In methanol for 4h; Reflux;	100%
In methanol for 4h; Reflux;
In methanol for 4h; Reflux;

: 115-77-5
Pentaerythritol

: 1493-27-2
ortho-nitrofluorobenzene

: 121564-67-8
C29H24N4O12

Conditions

Conditions	Yield
With tetrabutylammomium bromide; potassium hydroxide In toluene at 70℃; for 18h;	99.6%

: 115-77-5
Pentaerythritol

: 98-59-9
p-toluenesulfonyl chloride

: 1522-89-0
pentaerythritol tetratosylate

Conditions

Conditions	Yield
With pyridine at 0 - 20℃; for 48h;	99.5%
With pyridine at 0 - 20℃; for 48h;	99.5%
With pyridine at 20℃; for 16h;	89%

: 115-77-5
Pentaerythritol

: 100-52-7
benzaldehyde

: 2064-95-1
3,9-diphenyl-2,4,8,10-tetraoxa-spiro[5,5]undecane

Conditions

Conditions	Yield
With pyrographite In benzene for 1.5h; Heating;	99%
With toluene-4-sulfonic acid In benzene for 4h; Condensation; acetalization; Heating;	99%
With montmorillonite K-10 In benzene for 0.6h; Heating;	98%

: 115-77-5
Pentaerythritol

: 123-11-5
4-methoxy-benzaldehyde

: 1130782-84-1, 1130782-85-2
3,9-di(4-methoxyphenyl)-2,4,8,10-tetraoxaspiro<5,5>undecane

Conditions

Conditions	Yield
With Sulfate; zirconium(IV) oxide In toluene for 0.8h; Heating;	99%
With pyrographite In benzene for 1.8h; Heating;	96%
With tetrachlorosilane In acetonitrile at 20℃;	95%

: 115-77-5
Pentaerythritol

: 74-86-2
acetylene

: 757-46-0
tetrakis(vinyloxymethyl)methane

Conditions

Conditions	Yield
With potassium hydroxide In dimethyl sulfoxide at 120℃; for 5h;	99%
(i) /BRN= 906677/, aq. KOH, (ii) /BRN= 906677/, KOEt, EtOH; Multistep reaction;
With potassium hydroxide In dimethyl sulfoxide at 100℃; under 759.8 Torr;
With potassium hydroxide In dimethyl sulfoxide

: 115-77-5
Pentaerythritol

: 762-04-9
phosphonic acid diethyl ester

: pentaerythritol tris(diethyl phosphate)

Conditions

Conditions	Yield
With triethylamine In tetrachloromethane for 16h; Ambient temperature;	99%

: 115-77-5
Pentaerythritol

: 89-95-2
2-methyl-benzyl alcohol

: C19H20O6

Conditions

Conditions	Yield
With Sulfate; zirconium(IV) oxide In toluene for 1.5h; Heating;	99%

: 115-77-5
Pentaerythritol

: 865835-76-3
C6H5CH2OCH2CH2CH2CB10H10CCH2CH2COOH

: (C6H5CH2OCH2CH2CH2CB10H10CCH2CH2COOCH2)4C

Conditions

Conditions	Yield
With N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; 4-(dimethylamino)pyridinium tosylate In pyridine; dichloromethane CH2Cl2-pyridine 3:2, room temp., > 12 h; column chromy.;	99%

: 1189-71-5
isocyanate de chlorosulfonyle

: 115-77-5
Pentaerythritol

: 24794-44-3
pentaerythritol tetracarbamate

Conditions

Conditions	Yield
Stage #1: isocyanate de chlorosulfonyle; Pentaerythritol In acetonitrile at 0 - 20℃; for 1h; Stage #2: With water In acetonitrile Cooling with ice;	99%
Stage #1: isocyanate de chlorosulfonyle; Pentaerythritol In acetonitrile at 25℃; for 2h; Cooling with ice; Stage #2: With water In acetonitrile at 20℃; for 1h; Cooling with ice;

: 115-77-5
Pentaerythritol

: 1070-34-4
butanedioic acid, monoethyl ester

: 112-80-1
cis-Octadecenoic acid

: C65H116O10

Conditions

Conditions	Yield
Stage #1: Pentaerythritol; cis-Octadecenoic acid In water at 130 - 135℃; Inert atmosphere; Stage #2: butanedioic acid, monoethyl ester In water at 130 - 135℃; for 2h; Inert atmosphere;	99%

...Expand

: 115-77-5
Pentaerythritol

: 3878-55-5
methyl hydrogen succinate

: 112-80-1
cis-Octadecenoic acid

: C64H114O10

Conditions

Conditions	Yield
Stage #1: Pentaerythritol; cis-Octadecenoic acid In water at 130 - 135℃; Inert atmosphere; Stage #2: methyl hydrogen succinate In water at 130 - 135℃; for 2h; Inert atmosphere;	99%

...Expand

: 115-77-5
Pentaerythritol

: 552-89-6
2-nitro-benzaldehyde

: 102174-89-0
3,9-bis-(2-nitro-phenyl)-2,4,8,10-tetraoxa-spiro[5.5]undecane

Conditions

Conditions	Yield
With copper(II) chloride dihydrate In N,N-dimethyl-formamide at 70℃; for 1.33333h;	98.8%
With toluene-4-sulfonic acid In toluene at 140℃; for 3h;	98.8%
With toluene-4-sulfonic acid for 0.0666667h; microwave irradiation at 600 W power;	97.5%

: 115-77-5
Pentaerythritol

: 4095-10-7
dimethyldibromosilane

: 14896-25-4
3,3,9,9,-tetramethyl-3,9-disila-2,4,8,10-tetraoxaspiro<5,5>undecane

Conditions

Conditions	Yield
In diethylene glycol dimethyl ether at 50 - 130℃; for 6h; Solvent; Temperature;	98.6%

: 115-77-5
Pentaerythritol

: 57-11-4
stearic acid

: 78-23-9
pentaerythritol monostearate

Conditions

Conditions	Yield
With zinc/copper couple at 160℃; under 600.06 Torr; for 2.33333h; Temperature; Pressure; Reagent/catalyst;	98.3%
at 240℃;
With phenol at 180 - 230℃;

: 112-92-5
1-octadecanol

: 115-77-5
Pentaerythritol

: 3806-34-6
dioctadecyl pentaerythritol diphosphite

Conditions

Conditions	Yield
With lithium hydroxide; triethyl phosphite at 130 - 160℃; for 2h; Temperature; Reagent/catalyst; Time;	98.2%

: 115-77-5
Pentaerythritol

: 19759-75-2
3-(n-dodecylthio)-propanoic acid,methyl ester

: 29598-76-3
pentaerythritol tetrakis(β-dodecylmercapto)propionate

Conditions

Conditions	Yield
With [BCl2(1-methylimidazole)][Al2Cl7] at 120℃; for 3h; Reagent/catalyst; Temperature; Large scale;	98.2%

: 115-77-5
Pentaerythritol

: 108-24-7
acetic anhydride

: 597-71-7
pentaerythritol tetracetate

Conditions

Conditions	Yield
With methanesulfonic acid at 25℃; for 2h; Inert atmosphere;	98%
With aluminum triflate at 20℃; for 0.00833333h;	95%
aluminium dodecatungsten phosphate at 20℃; for 0.583333h;	94%

: 115-77-5
Pentaerythritol

: 104-87-0
4-methyl-benzaldehyde

: 53731-74-1
3,9-di-p-tolyl-2,4,8,10-tetraoxa-spiro[5.5]undecane

Conditions

Conditions	Yield
With Sulfate; zirconium(IV) oxide In toluene for 1h; Heating;	98%
With pyrographite In benzene for 1.5h; Heating;	97%
With tetrachlorosilane In acetonitrile at 20℃;	96%

: 115-77-5
Pentaerythritol

: 124-63-0
methanesulfonyl chloride

: 7511-62-8
2,2-bis(((methylsulfonyl)oxy)methyl)propane-1,3-diyl dimethanesulfonate

Conditions

Conditions	Yield
With pyridine Cooling with ice; Inert atmosphere;	98%
Stage #1: Pentaerythritol With triethylamine In dichloromethane at 0℃; for 0.166667h; Stage #2: methanesulfonyl chloride In dichloromethane at 20℃; for 12h;	87.3%
With pyridine
With pyridine Inert atmosphere; Schlenk technique;
With triethylamine In toluene at 0 - 20℃; Dean-Stark;

: 115-77-5
Pentaerythritol

: 142-62-1
hexanoic acid

: 7445-47-8
pentaerythritol tetracaproate

Conditions

Conditions	Yield
With pyridine; <(chlorosulfinyloxy)methylene>dimethylammonium chloride In dichloromethane at 20℃; for 6h;	98%
With sulfuric acid; toluene-4-sulfonic acid at 105℃; for 0.15h; Neat (no solvent); Microwave irradiation;	96%
at 180℃;
In toluene at 158℃; for 10h; Catalytic behavior; Reagent/catalyst; Green chemistry;	98 %Spectr.
With (cetyltrimethylammonium)1/3[Cu46(C9H3O6)24(OH)12](PW12O40)3·xH2O (COK-15b) In toluene at 155℃; for 6h; Green chemistry;	94 %Spectr.

: 16967-79-6
trichloroethylene epoxide

: 115-77-5
Pentaerythritol

: 33216-80-7
tetra(dichloroacetato)pentaerythritol

Conditions

Conditions	Yield
With magnesium sulfate for 6h; Heating;	98%

: 115-77-5
Pentaerythritol

: 587-04-2
3-Chlorobenzaldehyde

: 35583-09-6
3,9-di(m-chlorophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane

Conditions

Conditions	Yield
peroxodisulfate ion; zirconium(IV) oxide In toluene for 0.5h; Heating;	98%
silica sulfate In benzene for 0.5h; microwave irradiation;	98%
With pyrographite In toluene for 0.8h; Heating;	97%

: 115-77-5
Pentaerythritol

: 149-57-5
2-Ethylhexanoic acid

: 7299-99-2
pentaerythritol tetra(2-ethylhexanoate)

Conditions

Conditions	Yield
With pyridine; <(chlorosulfinyloxy)methylene>dimethylammonium chloride In dichloromethane at 20℃; for 6h;	98%
With sulfuric acid	82%
Stage #1: Pentaerythritol; 2-Ethylhexanoic acid at 170 - 250℃; for 6h; Stage #2: With 2-ethylhexanoic acid anhydride at 150 - 170℃; for 0.5h; Reagent/catalyst;

pentaerythritol Specification

The pentaerythritol, with the CAS registry number 115-77-5,is also known as Tetrakis(hydroxymethyl)methane; 2,2-Bis(hydroxymethyl)-1,3-propanediol. It belongs to the product categories of Inorganic & organic chemicals;Organics. Its EINECS number is 204-104-9. This chemical's molecular formula is C₅H₁₂O₄ and molecular weight is 136.15. What's more,Its systematic name is pentaerythritol.It is a odorless white solid,sinks and mixes slowly with water,stable,incompatible with strong acids,strong oxidizing agents, acid chlorides, acid anhydrides,combustible.It is danger of cumulative effects, so you should avoid contact with skin and eyes.

Physical properties about pentaerythritol are:
(1)ACD/LogP: -2.592; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.59; (4)ACD/LogD (pH 7.4): -2.59; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.532; (13)Molar Refractivity: 31.319 cm³; (14)Molar Volume: 101.141 cm³; (15)Surface Tension: 70.5199966430664 dyne/cm; (16)Density: 1.346 g/cm³; (17)Flash Point: 200.145 °C; (18)Enthalpy of Vaporization: 72.706 kJ/mol; (19)Boiling Point: 380.408 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

Preparation of Pentaerythritol:
Pentaerythritol is manufactured by reaction of formaldehyde and acetaldehyde in the presence of a basic catalyst, generally an alkali or alkaline-earth hydroxide.
In the process (Fig. 1), the main concern in mixing is to avoid loss of temperature control in this exothermic reaction, which can load to excessive by-product formation and/or reduced yields of pentaerythritol. The reaction time depends on the reaction temperature and may vary from about 0.5 to 4 hours at final temperatures of about 65 and 35 °C, respectively. The reactor product, neutralized with acetic or formic acid, is then stripped of excess formaldehyde and water to produce a highly concentrated solution of pentaerythritol reaction products. This is then cooled under carefully controlled crystallization conditions so that the crystals can be readily separated from the liquors by subsequent filtration.
Staged reactions, where only part of the initial reactants is added, either to consecutive reactors or with a time lag to the same reactor, may be used to reduce dipentaerythritol content. This technique increases the effective formaldehyde-to-acetaldehyde mole ratio, maintaining the original stoichiometric one. It also permits easier thermal control of the reaction. Both batch and continuous reaction systems are used.
Dipentaerythritol and tripentaerythritol are obtained as by-products of the pentaerythritol process and may be further purified by fractional crystallization or extraction.
preparation of Pentaerythritol
FIGURE 1: Manufacture of pentaerythritol

You can still convert the following datas into molecular structure:
(1)SMILES:OCC(CO)(CO)CO;
(2)Std. InChI:InChI=1S/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2;
(3)Std. InChIKey:WXZMFSXDPGVJKK-UHFFFAOYSA-N.

The toxicity data of pentaerythritol as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LD50	oral	11300mg/kg (11300mg/kg)	BEHAVIORAL: TREMOR BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: ATAXIA	Toxicology and Applied Pharmacology. Vol. 6, Pg. 351, 1964.
mouse	LD50	oral	25500mg/kg (25500mg/kg)	BEHAVIORAL: ATAXIA BEHAVIORAL: TREMOR BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)	Toxicology and Applied Pharmacology. Vol. 6, Pg. 351, 1964.
rabbit	LD50	oral	18500mg/kg (18500mg/kg)	BEHAVIORAL: GENERAL ANESTHETIC GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH LIVER: OTHER CHANGES	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 36(2), Pg. 25, 1971.
rat	LC	inhalation	> 11gm/m3/6H (11000mg/m3)		Toxicology and Applied Pharmacology. Vol. 6, Pg. 351, 1964.
rat	LD50	oral	19500mg/kg (19500mg/kg)	LIVER: OTHER CHANGES BEHAVIORAL: GENERAL ANESTHETIC GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 36(2), Pg. 25, 1971.

Product Name

Pentaerythritol

Synthetic route

pentaerythritol Specification

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