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Cas Database |
| Name |
Dipentaerythritol |
EINECS | 204-794-1 |
| CAS No. | 126-58-9 | Density | 1.373 g/cm3 |
| PSA | 130.61000 | LogP | -3.07040 |
| Solubility | water: 0.29 g/100 mL (20 °C) | Melting Point |
215-218 °C(lit.) |
| Formula | C10H22O7 | Boiling Point | 542.8 °C at 760 mmHg |
| Molecular Weight | 254.28 | Flash Point | 282.1 °C |
| Transport Information | N/A | Appearance | white crystalline powder |
| Safety | 24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Bis(pentaerythritol);Dipentek;HSDB 5610;NSC 65881;UNII-6699UJQ478;2,2,2',2'-Tetrakis(hydroxymethyl)-3,3'-oxydipropan-1-ol;2,2,6,6,-Tetra(hydroxymethyl)-4-oxaheptane-1,7-diol; |
Article Data | 22 |
Dipentaerythritol 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 | 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% |
- 625092-16-2
2',2'':6',6''-di-O-benzylidene-2',2'',6',6''-tetra-(hydroxymethyl)-4-oxa-1,7-heptanediol
- 126-58-9
Dipentaerythritol
| Conditions | Yield |
|---|---|
| With water; acetic acid for 1.5h; Heating; | 88% |
| Conditions | Yield |
|---|---|
| With [1,3]-dioxolan-2-one; tetrabutoxytitanium; boron trioxide; sodium formate at 140 - 190℃; under 412.541 - 727.573 Torr; for 14h; Reagent/catalyst; Pressure; Temperature; Dean-Stark; | 38% |
| Conditions | Yield |
|---|---|
| With alkali Trennung ueber die Salpersaeureester; | |
| With alkali Trennung von Pentaerythrit ueber die Salpetersaeureester; | |
| With calcium hydroxide; water at 20℃; |
| Conditions | Yield |
|---|---|
| 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; |
- 50-00-0
formaldehyd
- 75-07-0
acetaldehyde
A
- 115-77-5
Pentaerythritol
B
- 107-89-1
acetaldol
C
- 126-58-9
Dipentaerythritol
| Conditions | Yield |
|---|---|
| With sodium hydroxide at 10℃; for 5h; Product distribution; Mechanism; different initial aldehyde concentrations and reaction times; effect of additional pentaerythritol; |
| Conditions | Yield |
|---|---|
| je nach Bedingungen wechselnden Mengen; |
Dipentaerythritol Chemical Properties
Molecule structure of Dipentaerythritol (CAS NO.126-58-9):
.gif)
IUPAC Name: 2-[[3-Hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
Molecular Weight: 254.27748 g/mo
Molecular Formula: C10H22O7
Density: 1.373 g/cm3
Melting Point: 215-218 °C(lit.)
Boiling Point: 542.8 °C at 760 mmHg
Flash Point: 282.1 °C
Index of Refraction: 1.553
Molar Refractivity: 59.26 cm3
Molar Volume: 185 cm3
Surface Tension: 72.5 dyne/cm
Enthalpy of Vaporization: 94.4 kJ/mol
Vapour Pressure: 4.77E-14 mmHg at 25 °C
Water Solubility: 0.29 g/100 mL (20 °C)
Sensitive: hygroscopic
XLogP3-AA: -3.8
H-Bond Donor: 6
H-Bond Acceptor: 7
Rotatable Bond Count: 10
Exact Mass: 254.136553
MonoIsotopic Mass: 254.136553
Topological Polar Surface Area: 131
Heavy Atom Count: 17
Canonical SMILES: C(C(CO)(CO)COCC(CO)(CO)CO)O
InChI: InChI=1S/C10H22O7/c11-1-9(2-12,3-13)7-17-8-10(4-14,5-15)6-16/h11-16H,1-8H2
InChIKey: TXBCBTDQIULDIA-UHFFFAOYSA-N
EINECS: 204-794-1
Product Categories: Organic Building Blocks;Oxygen Compounds;Polyols
Dipentaerythritol Uses
Dipentaerythritol (CAS NO.126-58-9) is used in producing polyether, polyester, polyurethane, alkyd resins and photosensitive resin film, etc.
Dipentaerythritol Safety Profile
Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.
WGK Germany: 1
HS Code: 29094919
Dipentaerythritol Specification
Dipentaerythritol (CAS NO.126-58-9) is also named as 1,3-Propanediol, 2,2'-(oxybis(methylene))bis(2-(hydroxymethyl)- ; Bis(pentaerythritol) ; Dipentek ; HSDB 5610 ; NSC 65881 ; 2,2,2',2'-Tetrakis(hydroxymethyl)-3,3'-oxydipropan-1-ol . Dipentaerythritol (CAS NO.126-58-9) is white crystalline powder.
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