Dipentaerythritol (HCID 31352)

Namen und Bezeichner

Bevorzugter Name: Dipentaerythritol
IUPAC: 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
Lokaler Name: 2,2,2',2'-Tetrakis(hydroxymethyl)-3,3'-oxydipropan-1-ol
Englischer Name: Dipentaerythritol
Summenformel: C10H22O7
Molmasse: 254.28

Namen und Synonyme

DIPENTAERYTHRITOL126-58-9DipentekBis(pentaerythritol)1,3-Propanediol, 2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)-NSC 65881DTXSID3027039HSDB 5610EINECS 204-794-12,2,2',2'-Tetrakis(hydroxymethyl)-3,3'-oxydipropan-1-olNSC-658816699UJQ478

Weitere Namen anzeigen

DipentaerythritoltechD-PED-PE300DipentaerythritDipentaerythitolBis[petaerythritol]Hercules Tech Di-PE

DTXCID207039DIPENTAERYTHRITOL [HSDB]EC 204-794-11,3-Propanediol, 2,2'-(oxybis(methylene))bis(2-(hydroxymethyl)-Dipentaerythritol (8CI)RefChem:5887821,3Propanediol, 2,2'(oxybis(methylene))bis(2(hydroxymethyl)2,2'-(Oxybis(methylene))bis(2-(hydroxymethyl)propane-1,3-diol)

Datenbank-Bezeichner

CAS: 126-58-9
PubChem CID: 31352
DTXSID: DTXSID3027039
ChEMBL: CHEMBL3185131
UNII: 6699UJQ478
EC Number: 204-794-1
Nikkaji: J103.299B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -3,8
Polarare Oberfläche (TPSA): 131 Å²
H-Brücken-Donoren: 6
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 10
Schwere Atome: 17
Formalladung: 0
Komplexität: 153

Experimentelle und physikochemische Eigenschaften

Polymers · 4 Einträge

Other Classes -> Alcohols and Polyols, Other

Plastics -> Other functions -> Other stabiliser

Plastics -> Heat stabilisers

Plastics -> N.a.

Density · 2 Einträge

1.33 @ 25 °C/4 °C

1.33 @25 °C

Color/Form · 2 Einträge

OFF-WHITE, FREEFLOWING POWDER

White crystalline compound

Solubility · 2 Einträge

Solubility at 25 °C in: methanol 0.25 g/100 g; ethanol 0.07 g/100 g; acetone < 0.1 g 100 g; benzene < 0.1 g/100 g.

Solubility in water 0.30 g/100 g

Melting Point212-220 °C

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physikochemische Eigenschaften

Schmelzpunkt: 215 · 215-218 °C (lit.)
Siedepunkt: 356 °C · 356°C
Dichte: 1.36 g/cm3 · 1.36 g/cm3 (20℃)
Dampfdruck: 0.00001 hPa · <0.00001 hPa (20 °C)
Brechungsindex: 1.4455 · 1.4455 (estimate)
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: 2.4 g/l · 2.4g/l
pka: 13.38 · 13.38±0.10(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: White
PH: 5 · 5 (2g/l, H2O, 20℃)
Wasserlöslichkeit: 0.29 g/100 · 0.29 g/100 mL (20 ºC)
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 · 1.8 at 23℃
CAS Datenbank: 126 · 126-58-9(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1,3-Propanediol, 2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)-(126-58-9)
EPA chemische Informationen: Dipentaerythritol (126-58-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

This chemical does not meet GHS hazard criteria for 99.7% (576 of 578) of all reports.

Not Classified

Aggregated GHS information provided per 578 reports by companies from 2 notifications to the ECHA C&L Inventory.

Not Classified

Gefahrenhinweise

Regulatory Information · 4 Einträge

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/14461

1,3-Propanediol, 2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 1,3-Propanediol, 2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)-: Environment tier I assessment

Hazards SummaryConsidered to be nontoxic; [HSDB] May cause irritation; [MSDSonline]

Hazard Classes and CategoriesNot Classified

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

30 [mg/m3]

330 [mg/m3]

2000 [mg/m3]

Toxikologische Informationen

Human Toxicity ExcerptsDipentaerythritol is considered a nontoxic chemical.

Sicherheitsdaten

wgk: 1
tsca: TSCA listed
hs_code: 29094919
Toxizität: LD50 orally in Rabbit: > 2000 mg/kg
safety_code: 24/25
Speicherklasse: 13 - Non Combustible Solids
Giftige Stoffe Daten: 126-58-9(Hazardous Substances Data)
Selbstentzündungstemperatur: 370 °C

Chemie und Industrie

Verwendung und Herstellung

Uses · 3 Einträge

Used in paints and coatings; [Hawley] Used to make polyesters used as paint vehicles; as fatty acid esters used as lubricants; as raw material for plastics and PVC stabilizers; in cosmetics/hygiene products including hair rinses and nail lacquers; for steel coatings; in putties and paint resins; and as a softening agent in detergents; [eChemPortal: SIDSUNEP]

Painting (Pigments, Binders, and Biocides) [Category: Paint]

IN PAINTS & COATINGS

U.S. Production2023: 4,000,000 - <5,500,000 lb

Consumer UsesNot Known or Reasonably Ascertainable

Industry UsesFiller

Methods of ManufacturingDipentaerythritol is obtained as a byproduct in the manufacture of pentaerythritol; it is separated by fractional distillation.

Formulations/PreparationsDIPENTEK: TRADEMARK FOR DIPENTAERYTHRITOL, TECHNICAL.

Anwendungen · 3 Einträge

BeschreibungDas 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

BeschreibungDipentaerythritol, 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.

Verwenden2,2''-(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.

Darstellung · 1 Eintrag

synthetischeDipentaerythritol 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