Dipentaerythritol (HCID 31352)

Names & identifiers

Preferred name: Dipentaerythritol
IUPAC: 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
English name: Dipentaerythritol
Molecular formula: C10H22O7
Molecular weight: 254.28

Names & synonyms

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

Show more names

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)

Database identifiers

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

Properties

Computed structural properties

XLogP: -3.8
Topological polar surface area: 131 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 7
Rotatable bonds: 10
Heavy atoms: 17
Formal charge: 0
Complexity: 153

Experimental & physicochemical properties

Polymers · 4 items

Other Classes -> Alcohols and Polyols, Other

Plastics -> Other functions -> Other stabiliser

Plastics -> Heat stabilisers

Plastics -> N.a.

Density · 2 items

1.33 @ 25 °C/4 °C

1.33 @25 °C

Color/Form · 2 items

OFF-WHITE, FREEFLOWING POWDER

White crystalline compound

Solubility · 2 items

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

Physicochemical properties

Melting point: 215 · 215-218 °C (lit.)
Boiling point: 356 °C · 356°C
Density: 1.36 g/cm3 · 1.36 g/cm3 (20℃)
bulk density: 400 · 400-450kg/m3
vapor pressure: 0.00001 hPa · <0.00001 hPa (20 °C)
refractive index: 1.4455 · 1.4455 (estimate)
storage temp.: 30 °C · Store below +30°C.
solubility: 2.4 g/l · 2.4g/l
pka: 13.38 · 13.38±0.10(Predicted)
form: Crystalline Powder
color: White
PH: 5 · 5 (2g/l, H2O, 20℃)
Water Solubility: 0.29 g/100 · 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 · 1.8 at 23℃
CAS DataBase Reference: 126 · 126-58-9(CAS DataBase Reference)
Indirect Additives used in Food Contact Substances: DIPENTAERYTHRITOL
FDA 21 CFR: 175.105 · 175.105
FDA UNII: 6699 UJQ478 · 6699UJQ478
NIST Chemistry Reference: 1 · 1,3-Propanediol, 2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)-(126-58-9)
EPA Substance Registry System: Dipentaerythritol (126-58-9)
UNSPSC Code: 12352104 · 12352104
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Safety Statements: 24 · 24/25
WGK Germany: 1 · 1
Autoignition Temperature: 370 °C · 370 °C
TSCA: TSCA listed
HS Code: 29094919 · 29094919
Storage Class: 13 · 13 - Non Combustible Solids
Hazardous Substances Data: 126 · 126-58-9(Hazardous Substances Data)
Toxicity: 50 orally · LD50 orally in Rabbit: > 2000 mg/kg
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

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

Hazard information

Regulatory Information · 4 items

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

Safety & protection

Protective Action Criteria (PAC) · 3 items

30 [mg/m3]

330 [mg/m3]

2000 [mg/m3]

Toxicology

Human Toxicity ExcerptsDipentaerythritol is considered a nontoxic chemical.

Safety data

wgk: 1
tsca: TSCA listed
hs_code: 29094919
Toxicity: LD50 orally in Rabbit: > 2000 mg/kg
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Storage Class: 13 - Non Combustible Solids
Hazard statements: H315-H319-H335
REACH Registrations: Active
Autoignition Temperature: 370 °C
Precautionary statements: P261-P305+P351+P338
Hazardous Substances Data: 126-58-9(Hazardous Substances Data)

Chemistry & industry

Uses & manufacturing

Uses · 3 items

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.

Applications · 2 items

DescriptionDipentaerythritol, 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.

Uses2,2''-(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.

Preparation methods · 1 item

PreparationDipentaerythritol 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