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| CAS No.: | 78-24-0 |
|---|---|
| Name: | TRIPENTAERYTHRITOL |
| Molecular Structure: | |
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|
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| 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 |
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| 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
| Conditions | Yield |
|---|---|
| With sodium hydroxide at 30℃; Product distribution; Mechanism; pH=12.5; different initial acetaldehyde concentrations; |
| Conditions | Yield |
|---|---|
| With alkali | |
| With alkali |
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In toluene at 110℃; | 100% |
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In N,N-dimethyl-formamide; benzene for 5h; Heating; | 96% |
| Conditions | Yield |
|---|---|
| With pyridine In 1,4-dioxane at 20℃; Inert atmosphere; | 75% |
| 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
| 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 | Yield |
|---|---|
| With toluene-4-sulfonic acid for 1.5h; Heating; | A 30% B 55% |
- 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 | 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