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126-58-9

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Basic Information
CAS No.: 126-58-9
Name: 1,3-Propanediol,2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)-
Molecular Structure:
Molecular Structure of 126-58-9 (1,3-Propanediol,2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)-)
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
Hazard Symbols:
Risk Codes:
Safety: 24/25
Transport Information:
PSA: 130.61000
LogP: -3.07040
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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.