2,2,2',2'-Tetrakis(hydroxymethyl)-3,3'-oxydipropan-1-ol
2,2'-(Oxybis(methylene))bis(2-(hydroxymethyl)propane-1,3-diol) · Dipentaerythritoltech · D-PE · D-PE300 · Dipentek · Dipentaerythrit · Dipentaerythitol · DIPENTAERYTHRITOL
Identifikatoren & physikalische Daten
| CAS No. | 126-58-9 |
|---|---|
| Summenformel | C10H22O7 |
| Durchschnittliche Molmasse | 254,28 g/mol |
| Monoisotopische Masse | 254,13655304 g/mol |
| SMILES | OCC(CO)(CO)COCC(CO)(CO)CO |
| InChIKey | TXBCBTDQIULDIA-UHFFFAOYSA-N |
| PubChem CID | 31352 |
| ChEMBL | CHEMBL3185131 |
| EC No. | 204-794-1 |
| DTXSID | DTXSID3027039 |
| Lokaler Name | 2,2,2',2'-Tetrakis(hydroxymethyl)-3,3'-oxydipropan-1-ol |
Chemische & physikalische Eigenschaften
| XLogP | -3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 131 |
| H-Brücken-Donoren | 6 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 10 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 153 |
| Polymers | Other Classes -> Alcohols and Polyols, OtherPlastics -> Other functions -> Other stabiliserPlastics -> Heat stabilisersPlastics -> N.a. |
| Dichte | 1.33 @ 25 °C/4 °C1.33 @25 °C1.36 g/cm3 (20℃) |
| Color/Form | OFF-WHITE, FREEFLOWING POWDERWhite crystalline compound |
| Löslichkeit | Solubility at 25 °C in: methanol 0.25 g/100 gethanol 0.07 g/100 gacetone < 0.1 g 100 gbenzene < 0.1 g/100 g.Solubility in water 0.30 g/100 g2.4g/l0.29 g/100 mL (20 ºC) |
| Schmelzpunkt | 212-220 °C215-218 °C (lit.) |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Physical Description | Other SolidDry PowderCBILarge CrystalsOff-white or white solid[HSDB] White powder[MSDSonline] |
| Collision Cross Section | 154.6 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID3027039] |
| Other Experimental Properties | Nonhygroscopic crystallineheat of combustion 7737 kg/mol. |
| Siedepunkt | 356°C |
| Dampfdruck | <0.00001 hPa (20 °C) |
| Brechungsindex | 1.4455 (estimate) |
| Lagerbedingungen | Store below +30°C. |
| pKa (Säurekonstante) | 13.38±0.10(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White |
| pH | 5 (2g/l, H2O, 20℃) |
| 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 (Verteilungskoeffizient) | 1.8 at 23℃ |
| CAS Datenbank | 126-58-9(CAS DataBase Reference) |
| NIST chemische Informationen | 1,3-Propanediol, 2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)-(126-58-9) |
| EPA chemische Informationen | Dipentaerythritol (126-58-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 99.7% (576 of 578) of all reports.Not ClassifiedAggregated GHS information provided per 578 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 1,3-Propanediol, 2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)-1,3-Propanediol, 2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediol, 2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 26-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/144611,3-Propanediol, 2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - 1,3-Propanediol, 2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)-: Environment tier I assessment |
| Gefahrenübersicht | Considered to be nontoxic[HSDB] May cause irritation[MSDSonline] |
| Hazard Classes and Categories | Not Classified |
| Protective Action Criteria (PAC) | 30 [mg/m3]330 [mg/m3]2000 [mg/m3] |
| Human Toxicity Excerpts | Dipentaerythritol is considered a nontoxic chemical. |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29094919 |
| Toxizität | LD50 orally in Rabbit: > 2000 mg/kg |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 13 - Non Combustible Solids |
| Gefahrstoffdaten | 126-58-9(Hazardous Substances Data) |
| Selbstentzündungstemperatur | 370 °C |
Anwendungen & Verwendung
Beschreibung
Das Bis-[4-(N,N-dimethylamino)-phenyl]-methan bildet schwach gelbe, in Wasser unlösliche Kristalle. Es wird als Reagens auf Blei(IV)-oxid verwendet, mit dem es eine intensiv blaue Verbindung bildet. Das Reagens dient besonders in der qualitativen Analyse
Beschreibung
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.
Verwenden
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.
Herstellung & Synthese
synthetische
Dipentaerythritol is obtained as a byproduct in the manufacture of pentaerythritol; it is separated by fractional distillation. 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