Dipentaerythritol (HCID 31352)

이름 및 식별자

우선 이름: Dipentaerythritol
IUPAC: 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
현지명: 디펜타에리트리톨
영어명: Dipentaerythritol
분자식: C10H22O7
분자량: 254.28

이름 및 동의어

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

이름 더 보기

디펜타에리트리톨다이펜타에리스리톨1,3-프로판디올, 2,2-(옥시비스(메틸렌)비스(2-(히드록시메틸))-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)

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -3.8
극성 표면적: 131 Å²
수소 결합 공여자 수: 6
수소 결합 수용자 수: 7
회전 가능 결합 수: 10
무거운 원자 수: 17
형식 전하: 0
복잡도: 153

실험 및 물리화학적 성질

Polymers · 4건

Other Classes -> Alcohols and Polyols, Other

Plastics -> Other functions -> Other stabiliser

Plastics -> Heat stabilisers

Plastics -> N.a.

Density · 2건

1.33 @ 25 °C/4 °C

1.33 @25 °C

Color/Form · 2건

OFF-WHITE, FREEFLOWING POWDER

White crystalline compound

Solubility · 2건

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

물리화학적 성질

녹는점: 215 · 215-218 °C (lit.)
끓는 점: 356 °C · 356°C
밀도: 1.36 g/cm3 · 1.36 g/cm3 (20℃)
증기압: 0.00001 hPa · <0.00001 hPa (20 °C)
굴절률: 1.4455 · 1.4455 (estimate)
저장 조건: 30 °C · Store below +30°C.
용해도: 2.4 g/L · 2.4g/L
산도 계수 (pKa): 13.38 · 13.38±0.10(Predicted)
물리적 상태: 결정성 분말
색상: 하얀색
수소이온지수(pH): 5 · 5 (2g/l, H2O, 20℃)
수용성: 0.29 g/100mL · 0.29g/100mL(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: 1.8 at · 1.8 at 23℃
NIST: 1 · 1,3-Propanediol, 2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)-(126-58-9)
EPA: Dipentaerythritol (126-58-9)

화학적 성질

white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

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

유해성 정보

Regulatory Information · 4건

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

안전 및 보호

Protective Action Criteria (PAC) · 3건

30 [mg/m3]

330 [mg/m3]

2000 [mg/m3]

독성 정보

Human Toxicity ExcerptsDipentaerythritol is considered a nontoxic chemical.

안전 데이터

wgk: 1
tsca: TSCA listed
독성: LD50 orally in Rabbit: > 2000 mg/kg
HS 번호: 29094919
safety_code: 24/25
기존화학 물질: KE-12030
자연 발화 온도: 370 °C
스토리지 클래스: 13 - Non Combustible Solids
유해 물질 데이터: 126-58-9(Hazardous Substances Data)

화학 및 산업

용도 및 제조

Uses · 3건

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.

응용 분야 · 2건

개요Dipentaerythritol, 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.

용도2,2''-(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.

제조 방법 · 1건

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