CAS No.78-24-0,TRIPENTAERYTHRITOL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	78-24-0
Name:	TRIPENTAERYTHRITOL
Article Data:	10

Formula:	C₁₅H₃₂O₁₀
Molecular Weight:	372.413
Synonyms:	Tripentaerythritol(6CI,8CI);NSC 97579;Tris(pentaerythritol);2,2'-{[2,2-bis(hydroxymethyl)propane-1,3-diyl]bis(oxymethanediyl)}bis[2-(hydroxymethyl)propane-1,3-diol];1,3-Propanediol, 2,2-bis((3-hydroxy-2,2-bis(hydroxymethyl)propoxy)methyl)-;4,8-dioxa-2,2,6,6,10,10-hexahydroxymethylundecane-1,11-diol;
EINECS:	201-097-4
Density:	1.384 g/cm³
Melting Point:	225 °C (dec.)(lit.)
Boiling Point:	670.8 °C at 760 mmHg
Flash Point:	359.5 °C
Appearance:	ivory white to beige crystalline powder
Safety:	24/25
PSA:	180.30000
LogP:	-4.08280

Synthetic route

: 50-00-0
formaldehyd

: 75-07-0
acetaldehyde

: 78-24-0
tripentaerythritol

Conditions

Conditions	Yield
With sodium hydroxide; Pentaerythritol; water at 58℃;
With sodium hydroxide; Pentaerythritol; water at 58℃;

: 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: 78-24-0
tripentaerythritol

B pentaerythritol and dipentaerythritol: pentaerythritol and dipentaerythritol

Conditions

Conditions	Yield
With alkali
With alkali

...Expand

: 4870-65-9
2-bromophenylacetic acid

: 78-24-0
tripentaerythritol

: bromo-phenyl-acetic acid 3-(bromo-phenyl-acetoxy)-2-[3-(bromo-phenyl-acetoxy)-2-[3-(bromo-phenyl-acetoxy)-2,2-bis-(bromo-phenyl-acetoxymethyl)-propoxymethyl]-2-(bromo-phenyl-acetoxymethyl)-propoxymethyl]-2-(bromo-phenyl-acetoxymethyl)-propyl ester

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene at 110℃;	100%

: 78-24-0
tripentaerythritol

: 108-94-1
cyclohexanone

: {3-[3-(3-hydroxymethyl-1,5-dioxa-spiro[5.5]undec-3-ylmethoxymethyl)-1,5-dioxa-spiro[5.5]undec-3-ylmethoxymethyl]-1,5-dioxa-spiro[5.5]undec-3-yl}-methanol

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In N,N-dimethyl-formamide; benzene for 5h; Heating;	96%

: 78-24-0
tripentaerythritol

: 2428-06-0
2-chloro-5,5-dimethyl-[1,3,2]dioxaphosphinane

: octa(5,5-dimethyl-O,O-1,3-propylenephosphite)-2,2-bis(3-hydroxy-2,2-bis-hydroxymethylpropoxymethyl)propane-1,3-diol

Conditions

Conditions	Yield
With pyridine In 1,4-dioxane at 20℃; Inert atmosphere;	75%

: 78-24-0
tripentaerythritol

: 106-96-7
propargyl bromide

: C39H48O10

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide; toluene; mineral oil at 0 - 50℃; for 48h; Inert atmosphere;	65%

: 20769-85-1
2-bromoisobutyric acid bromide

: 78-24-0
tripentaerythritol

: (Octa-O-(2-bromo-2-methylpropionyl)-tripentaerythritol)

Conditions

Conditions	Yield
With pyridine In dichloromethane at 20℃; for 48h; Cooling with ice;	61%
With pyridine In dichloromethane at 0 - 20℃; for 48h;	45%

: 109-87-5
Dimethoxymethane

: 78-24-0
tripentaerythritol

A: 1186366-70-0
C19H32O10

B: 84808-77-5
2',2'':6',6'':10',10''-tri-O-methylene-2,2,6,6,10,10-hexakis(hydroxymethyl)-4,8-dioxa-1,11-undecane-diol

Conditions

Conditions	Yield
With toluene-4-sulfonic acid for 1.5h; Heating;	A 30% B 55%

...Expand

: 78-24-0
tripentaerythritol

: 2283-11-6
hexaethylphosphoric triamide

: 68294-31-5
1,7-bis(2',6',7'-trioxa-1'-phosphabicyclo[2.2.2]-octyl-4')-4,4-bishydrohymethyl-2,6-dioxaheptane

Conditions

Conditions	Yield
With pyridine at 120 - 125℃; for 24h; Inert atmosphere; regioselective reaction;	47%

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Specification

The 1,3-Propanediol,2,2-bis[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-, with the CAS registry number 78-24-0 and EINECS registry number 201-097-4, has the systematic name of 2,2'-{[2,2-bis(hydroxymethyl)propane-1,3-diyl]bis(oxymethanediyl)}bis[2-(hydroxymethyl)propane-1,3-diol]. It is a kind of ivory white to beige crystalline powder, and belongs to the following product categories: Organic Building Blocks; Oxygen Compounds; Polyols. And the molecular formula of the chemical is C₁₅H₃₂O₁₀. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.

The characteristics of 1,3-Propanediol,2,2-bis[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]- are as followings: (1)ACD/LogP: -2.32; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -2.31; (4)ACD/LogD (pH 7.4): -2.31; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.31; (8)ACD/KOC (pH 7.4): 1.31; (9)#H bond acceptors: 10; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 24; (12)Polar Surface Area: 92.3 Å²; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 87.2 cm³; (15)Molar Volume: 269 cm³; (16)Polarizability: 34.57×10^-24cm³; (17)Surface Tension: 73.3 dyne/cm; (18)Density: 1.384 g/cm³; (19)Flash Point: 359.5 °C; (20)Enthalpy of Vaporization: 112.79 kJ/mol; (21)Boiling Point: 670.8 °C at 760 mmHg; (22)Vapour Pressure: 7.28E-21 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OCC(COCC(COCC(CO)(CO)CO)(CO)CO)(CO)CO
(2)InChI: InChI=1/C15H32O10/c16-1-13(2-17,3-18)9-24-11-15(7-22,8-23)12-25-10-14(4-19,5-20)6-21/h16-23H,1-12H2
(3)InChIKey: PTJWCLYPVFJWMP-UHFFFAOYAS