ChemicalBook--->CAS DataBase List--->126-58-9

126-58-9

126-58-9 Structure

126-58-9 Structure
IdentificationMore
[Name]

Dipentaerythritol
[CAS]

126-58-9
[Synonyms]

2,2,2',2'-tetrakis(hydroxymethyl)-3,3'-oxydipropan-1-ol
2,2,6,6,-Tetra(hydroxymethyl)-4-oxaheptane-1,7-diol
2,2'[OXYBIS(METHYLEN)]BIS[HYDROXYMETHYL]-1,3-PROPANDIOL
BIS[2,2,2-TRIS(HYDROXYMETHYL)ETHYL] ETHER
DIPENTAERYTHRITOL
D-PE
D-PE300
2-([3-Hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl)-2-(hydroxymethyl)-1,3-propanediol
2,2'-(Oxybis(methylene))bis-((hydroxymethyl)-1,3-propanediol)
2,2’-(oxybis(methylene))bis(2-(hydroxymethyl)-3-propanediol
2,2’-[oxybis(methylene)]bis[2-(hydroxymethyl)-3-propanediol
3-Propanediol,2,2’-[oxybis(methylene)]bis[2-(hydroxymethyl)-1
Bis(pentaerythritol)
Bis[petaerythritol]
Dipentek
Hercules Tech Di-PE
Dipentaerythritoltech
1,3-Propanediol, 2,2-oxybis(methylene)bis2-(hydroxymethyl)-
Dipentaerythritol: (Dipentek)
Dipentaerythitol
[EINECS(EC#)]

204-794-1
[Molecular Formula]

C10H22O7
[MDL Number]

MFCD00004691
[Molecular Weight]

254.28
[MOL File]

126-58-9.mol
Chemical PropertiesBack Directory
[Appearance]

white crystalline powder
[Melting point ]

215-218 °C (lit.)
[Boiling point ]

356°C
[bulk density]

400-450kg/m3
[density ]

1.36 g/cm3 (20℃)
[vapor pressure ]

<0.00001 hPa (20 °C)
[refractive index ]

1.4455 (estimate)
[storage temp. ]

Store below +30°C.
[solubility ]

2.4g/l
[form ]

Crystalline Powder
[pka]

13.38±0.10(Predicted)
[color ]

White
[PH]

5 (2g/l, H2O, 20℃)
[Water Solubility ]

0.29 g/100 mL (20 ºC)
[Sensitive ]

Hygroscopic
[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
[SMILES]

O(CC(CO)(CO)CO)CC(CO)(CO)CO
[LogP]

1.8 at 23℃
[CAS DataBase Reference]

126-58-9(CAS DataBase Reference)
[NIST Chemistry Reference]

1,3-Propanediol, 2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)-(126-58-9)
[EPA Substance Registry System]

Dipentaerythritol (126-58-9)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

1
[Autoignition Temperature]

370 °C
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29094919
[Storage Class]

13 - Non Combustible Solids
[Hazardous Substances Data]

126-58-9(Hazardous Substances Data)
[Toxicity]

LD50 orally in Rabbit: > 2000 mg/kg
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2,2,2',2'-Tetrakis(hydroxymethyl)-3,3'-oxydipropan-1-ol(126-58-9).msds
Hazard InformationBack Directory
[Description]

Dipentaerythritol, also known as 2,2-[oxybis(methylene)- bis[2-hydroxymethyl]-1,3-propanediol, is a byproduct of pentaerythritol production. Because of its low solubility in water (0.22 g/ 100 g H2O at 20 ℃ and 10.0 g/100 g H2O at 100 ℃) it can be separated from pentaerythritol by fractional crystallization. The yield can be increased by changing the ratio of formaldehyde/ acetaldehyde towards stoichiometric. Adding pentaerythritol before starting the reaction also increases the yield. An effective method is to use acrolein instead of acetaldehyde. Dipentaerythritol can be produced intentionally from pentaerythritol by acid catalysis. Dipentaerythritol is purified as a coproduct by many pentaerythritol producers.
[Chemical Properties]

white crystalline powder
[Uses]

2,2''-(Oxybis(methylene))bis(2-(hydroxymethyl)-propane-1,3-diol) is used in preparation of new type of explosion-proof and flame-retardant tape material for cables.
[Application]

Dipentaerythritol (DPE) is an attractive raw material used for the production of polyesters, polyethers, polyurethanes, alkyd resins, photosensitive resin film. DPE is also employed in a wide range synthesis of specialty chemicals such as lubricants, coatings, adhesives, plasticizers and cosmetics.
[Preparation]

Dipentaerythritol is obtained as a byproduct in the manufacture of pentaerythritol; it is separated by fractional distillation.
synthesis of dipentaerythritol from pentaerythritol
Dipentaerythritol (DPE) has been prepared from a slurry of Pentaerythritol (PE) in sulfolane catalyzed by a low amount of sulfuric acid and was isolated with 16% yield (72% GPC purity) and 57% isolated selectivity.
synthesis of dipentaerythritol from pentaerythritol under acidic conditions
[Flammability and Explosibility]

Notclassified
[Synthesis]

Pentaerythritol

115-77-5

Dipentaerythritol

126-58-9

The general procedure for synthesizing dipentaerythritol from pentaerythritol (PET) is as follows: in a reaction flask equipped with a stirrer, a thermometer, a distillation column, and a condenser tube, 350 parts of pentaerythritol (PET), 182 parts of ethylidene carbonate, and 0.3 parts of tetrabutoxytitanium as a catalyst (trade name: Orgatics TA-25, produced by Matsumoto Fine Chemical Co.) Subsequently, 0.3 part of boron trioxide was added as a co-catalyst. The reaction mixture was heated to 140-170 °C and the reaction was stirred in this temperature range for 11 hours. During the reaction, the system pressure was maintained at 0.055-0.0001 MPa while the generated ethylene glycol and unreacted ethylene carbonate were removed from the system by means of a distillation column and a condensation tube. Upon completion of the reaction, 250 parts of pentaerythritol (PET), 3.2 parts of diboron trioxide (as Catalyst B) and 1.6 parts of sodium formate (as Catalyst A) were added to the same flask. The reaction mixture was heated to 190 °C and the reaction was stirred at 0.097 MPa for 3 hours. At the end of the reaction, the products were analyzed and the results are shown in Table 2.

[References]

[1] Patent: JP5896028, 2016, B2. Location in patent: Paragraph 0065; 0077
[2] Patent: US6121499, 2000, A
[3] Patent: CN104220415, 2016, B. Location in patent: Paragraph 0102-0108
Spectrum DetailBack Directory
[Spectrum Detail]

Dipentaerythritol(126-58-9)MS
Dipentaerythritol(126-58-9)1HNMR
Dipentaerythritol(126-58-9)13CNMR
Dipentaerythritol(126-58-9)IR1
Dipentaerythritol(126-58-9)IR2
Dipentaerythritol(126-58-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Dipentaerythritol, 90%(126-58-9)
[Alfa Aesar]

Dipentaerythritol, tech. 90%(126-58-9)
[Sigma Aldrich]

126-58-9(sigmaaldrich)
[TCI AMERICA]

Dipentaerythritol,>85.0%(GC)(126-58-9)
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