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Basic Information
CAS No.: 126-58-9
Name: Dipentaerythritol
Molecular Structure:
Molecular Structure of 126-58-9 (Dipentaerythritol)
Formula: C10H22O7
Molecular Weight: 254.28
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;
EINECS: 204-794-1
Density: 1.373 g/cm3
Melting Point: 215-218 °C(lit.)
Boiling Point: 542.8 °C at 760 mmHg
Flash Point: 282.1 °C
Solubility: water: 0.29 g/100 mL (20 °C)
Appearance: white crystalline powder
Safety: 24/25
PSA: 130.61000
LogP: -3.07040
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
ConditionsYield
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
ConditionsYield
With water; acetic acid for 1.5h; Heating;88%
115-77-5

Pentaerythritol

126-58-9

Dipentaerythritol

Conditions
ConditionsYield
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%
50-00-0

formaldehyd

75-07-0

acetaldehyde

A

115-77-5

Pentaerythritol

B

126-58-9

Dipentaerythritol

Conditions
ConditionsYield
With alkali Trennung ueber die Salpersaeureester;
With alkali Trennung von Pentaerythrit ueber die Salpetersaeureester;
With calcium hydroxide; water at 20℃;
50-00-0

formaldehyd

75-07-0

acetaldehyde

126-58-9

Dipentaerythritol

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With sodium hydroxide at 10℃; for 5h; Product distribution; Mechanism; different initial aldehyde concentrations and reaction times; effect of additional pentaerythritol;
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
ConditionsYield
je nach Bedingungen wechselnden Mengen;
50-00-0

formaldehyd

75-07-0

acetaldehyde

lime milk

lime milk

A

115-77-5

Pentaerythritol

B

126-58-9

Dipentaerythritol

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
ConditionsYield
In water at 10℃; Rate constant; Mechanism; Product distribution; and equilibrium constants;
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Chemistry

Molecule structure of Dipentaerythritol (CAS NO.126-58-9):

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

Uses

 Dipentaerythritol (CAS NO.126-58-9) is used in producing polyether, polyester, polyurethane, alkyd resins and photosensitive resin film, etc.

Safety Profile

Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.
WGK Germany: 1
HS Code: 29094919

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.