디펜타에리트리톨
Dipentaerythritol
기본 정보
- CAS
126-58-9- 표준 SMILES
OCC(CO)(CO)COCC(CO)(CO)CO- InChIKey
TXBCBTDQIULDIA-UHFFFAOYSA-N- 분자식
- C10H22O7
- 평균 분자량
- 254.28 g/mol
- 단동위원소 질량
- 254.13655304
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 Ų
- 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
Other Classes -> Alcohols and Polyols, Other
Plastics -> Other functions -> Other stabiliser
Plastics -> Heat stabilisers
Plastics -> N.a.
Density
1.33 @ 25 °C/4 °C
1.33 @25 °C
Color/Form
OFF-WHITE, FREEFLOWING POWDER
White crystalline compound
Solubility
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
Physical Description
Other Solid; Dry Powder; CBI; Large Crystals
Off-white or white solid; [HSDB] White powder; [MSDSonline]
Collision Cross Section154.6 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID3027039]
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
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)
30 [mg/m3]
330 [mg/m3]
2000 [mg/m3]
독성 정보
화학 및 산업
용도 및 제조
Uses
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.
Use Classification
Plastics -> Heat stabilisers
Plastics -> Other functions -> Other stabiliser
Plastics -> Polymer Type -> N.a.
General Manufacturing Information
Mining (except Oil and Gas) and support activities
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.
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