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Dipentaerythritol

Dipentaerythritol structure

CAS No:
126-58-9
Formula:
C10H22O7
Chemical Name:
Dipentaerythritol
Synonyms:
1,3-Propanediol,2,2′-[oxybis(methylene)]bis[2-(hydroxymethyl)-;Dipentaerythritol;2,2′-[Oxybis(methylene)]bis[2-(hydroxymethyl)-1,3-propanediol];Bis(pentaerythritol);Dipentek;Dipentalide;Dipentarit SP;Di-Pentarit 300;NSC 65881;Di-Pentarit;Charmor DP 15;Charmor DP 40;Di-Penta 93;2,2,6,6-Tetrakis(hydroxymethyl)-4-oxaheptane-1,7-diol;Neulizer N;Holtac D;LK 48952;DPER-HY;D 806414;2,2′-(Oxybis(methylene))bis(2-(hydroxymethyl)propane-1,3-diol);Dipenta 85;Dipenta 90;2,2,2′,2′-Tetrakis(hydroxymethyl)-3,3′-oxydipropan-1-ol;2-[[3-Hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;DPER AR;106496-91-7;110369-41-0;115986-73-7;165075-04-7
Categories:
Chemical Reagents > Organic Reagents

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Description

white crystalline powder

DryPowder; PelletsLargeCrystals

Dipentaerythritol Basic Attributes

Molecular Weight：

254.279

Exact Mass：

254.28

EC Number：

204-794-1

UNII：

6699UJQ478

NSC Number：

65881

DSSTox ID：

DTXSID3027039

Color/Form：

OFF-WHITE, FREEFLOWING POWDER|White crystalline compound

HScode：

29094919

Characteristics

PSA：

131

XLogP3：

-3.8

Appearance：

DryPowder; PelletsLargeCrystals

Density：

1.33 g/cm³ @ Temp: 25 °C

Melting Point：

212-220 °C

Boiling Point：

356°C

Flash Point：

282.1±28.7 °C

Refractive Index：

1.4455 (estimate)

Water Solubility：

H2O: 2.4g/l

Storage Conditions：

Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

<0.00001 hPa (20 °C)

Toxicity：

LD50 orally in Rabbit: > 2000 mg/kg

Experimental Properties：

Nonhygroscopic crystalline; heat of combustion 7737 kg/mol.|Nonhygroscopic

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

24/25

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261, P264, P271, P280, P304+P340, P305+P351+P338, P312, P337+P313, P403+P233, P405, P501

Hazard Statements：

H319

GHS Classification：

Not Classified

Drug Information

Human Toxicity Excerpts：

Dipentaerythritol is considered a nontoxic chemical.

Dipentaerythritol Use and Manufacturing

Methods of Manufacturing

Into a flask equipped with a stirrer, a thermometer, a rectifying column, and a cooling tube, 350 parts of PET, 182 parts of ethylene carbonate, titanium tetra-n-butoxide as catalyst B (Trade name: Orgatics TA-25, manufactured by Matsumoto Fine Chemical Co., Ltd.) 0.3 part of diboron trioxide was charged and heated and stirred for 11 hours at a reaction temperature of 140 to 170 °C. and a reaction pressure of 0.055 to 0.0001 MPa. Meanwhile, ethylene glycol and unreacted ethylene carbonate were removed from the system via a rectification column and a cooling pipe. Thereafter, 250 parts of PET, 3.2 parts of diboron trioxide as a catalyst B, and 1.6 parts of sodium formate as a catalyst A were charged in a flask, heated and stirred at a reaction temperature of 190 °C and a reaction pressure of 0.097 MPa for 3 hours. The analysis results of the reaction products are shown in Table 2.As an adsorbent, Kyowaad 500 made by Kyowa Chemical Industry Co., Ltd. was used.As the activated carbon, egret P made by Nippon Enviro Chemicals Co., Ltd. was used.82 g of pentaerythritol (0.6 mol, manufactured by K.K. Perstorp), 312 g of 2-ethylhexanoic acid (2.2 mol, manufactured by Kyowa Hakko Kagaku Kabushiki Kaisha) and 124 g of 2-propylheptanoic acid Mole, Production Example), and the mixture was degassed by bubbling nitrogen at room temperature under a reduced pressure of 20 kPa for 30 minutes while stirring the mixture.Then, the mixture was stirred at 190 to 231 ° C for 26 hours under nitrogen bubbling at atmospheric pressure. After the reaction, the reaction product was stirred under a reduced pressure of 0.9 kPa at 228 to 231 ° C for 1.5 hours to distill off the unreacted carboxylic acid in the reaction product. The reaction product was washed with 90 mL of an aqueous solution containing 200 mL of sodium hydroxide having an acid value of 2 times that of the reaction product for 1 hour at 90 ° C. Then, the reaction product was washed with 200 mL of water three times at 90 ° C for 0.5 hours. Then, the reaction product was dried while bubbling nitrogen under a reduced pressure of 0.9 kPa at 105 ° C for 1 hour.1.2 g (corresponding to 0.3percent by weight of the reaction product) of the adsorbent and 4.0 g (1.0percent by weight of the reaction product) of the adsorbent were added to the reaction product, and the reaction product The mixture was stirred at 106 ° C for 1 hour under a reduced pressure of 0.9 kPa and then filtered using a filter aid to obtain 334 g of mixed ester 1.The reaction solution with formaldehyde:acetaldehyde:alkaline=5.0:1:1.2 was prepared by dropping alkaline solution (32percent) into the formaldehyde solution (12percent) in 3 minutes after the pressure was stand at 0.2 Mpa by N

Uses

Flame retardants

Lubricants and greases

Production

1,000,000 - 10,000,000 lb

Formulations：

DIPENTEK: TRADEMARK FOR DIPENTAERYTHRITOL, TECHNICAL.

Manufacturing Info：

All other basic organic chemical manufacturing|1,3-Propanediol, 2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)-: ACTIVE|OCCURS IN TECHNICAL PENTAERYTHRITOL. ... THE MOLECULE CONTAINS SIX PRIMARY HYDROXYL GROUPS, ALL ESTERIFIABLE.|CONDENSATION PRODUCTS OF DIPENTAERYTHRITOL WERE TREATED WITH DIOXIRANE CMPD TO GIVE DENATURED POLYESTERS. THE DENATURED POLYESTERS, TOGETHER WITH NITROCELLULOSE WERE DISSOLVED IN ORG SOLVENTS TO PRODUCE NAIL LACQUERS.|MONOBASIC OR DIBASIC ACID DIPENTAERYTHRITOL ESTERS ADDED TO COSMETIC BASES CONTAINING FATTY ACIDS IMPROVE THE PROPERTIES OF THESE BASES WITH RESPECT TO THE CHEMICAL STABILITY & ADHESION TO SKIN.|DIPENTAERYTHRITOL ESTERS ARE USED IN HAIR RINSES.

Computed Properties

Molecular Weight:254.28
XLogP3:-3.8
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:254.13655304
Monoisotopic Mass:254.13655304
Topological Polar Surface Area:131
Heavy Atom Count:17
Complexity:153
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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