Dipentaerythritol - ≥90% , CAS No.126-58-9

CAS: 126-58-9 Cat. No.: D101402 분자식: C₁₀H₂₂O₇ 분자량: 254.28 EC 번호: 204-794-1

등급 & 순도 ≥90%

Synonyms

Bis[2,2,2-tris(hydroxymethyl)ethyl] Ether

Storage

Room temperature

Shipped In

Normal

사양

동의어

Bis[2,2,2-tris(hydroxymethyl)ethyl] Ether

사양 및 순도

≥90%

보관 조건

Room temperature

배송

Normal

순수함

≥90%

이름과 식별자

Pubchem Sid

488183167

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183167

정식 스마일

C(C(CO)(CO)COCC(CO)(CO)CO)O

IUPAC Name

2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol

InChIKey

TXBCBTDQIULDIA-UHFFFAOYSA-N

INCHI

1S/C10H22O7/c11-1-9(2-12,3-13)7-17-8-10(4-14,5-15)6-16/h11-16H,1-8H2

이성체 SMILES

C(C(CO)(CO)COCC(CO)(CO)CO)O

WGK 독일

1

분자량

254.28

Reaxy-Rn

1775704

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1775704&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl ethers
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl ether - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

작용 메커니즘

화학 및 물리적 특성

• 녹는점(°C): 215-218 °C
• 분자량: 254.280 g/mol
• XLogP3: -3.800
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 254.137 Da
• Monoisotopic Mass: 254.137 Da
• Topological Polar Surface Area: 131.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 153.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1