Poly(ethylene glycol) dioleate - average Mₙ ~914 , CAS No.9005-07-6

CAS: 9005-07-6 Cat. No.: P477992 Formula: C₁₈H₃₃O(OCH₂CH₂)_nO₂C₁₈H₃₃ Numero EC: 618-407-2

GRADE & PURITY average Mₙ ~914

Synonyms

UNII-8OD7I9D4BZ | UNII-U47OPR8H97 | UNII-CMP2G8S7AM | Ethylene glycol dioleate | 3-Cyclohexen-1-ol, 1-methyl-4-(1-methyethyl)- | EINECS 213-170-8 | NCGC00248567-01 | O05H945W9X | SCHEMBL285023 | PEG-4 Dioleate | SCHEMBL85551 | 2-((Z)-OCTADEC-9-ENOYL)OXYET

Storage

Room temperature

Panoramica

Description

Plasticizer

Specifications

Sinonimi

UNII-8OD7I9D4BZ | UNII-U47OPR8H97 | UNII-CMP2G8S7AM | Ethylene glycol dioleate | 3-Cyclohexen-1-ol, 1-methyl-4-(1-methyethyl)- | EINECS 213-170-8 | NCGC00248567-01 | O05H945W9X | SCHEMBL285023 | PEG-4 Dioleate | SCHEMBL85551 | 2-((Z)-OCTADEC-9-ENOYL)OXYET

Specifiche e purezza

average Mₙ ~914

Condizioni di conservazione di stoccaggio

Room temperature

Nomi e identificatori

• Pubchem Sid: 504763802
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763802
• Sorrisi canonici: CCCCCCCCC=CCCCCCCCC(=O)OCCOC(=O)CCCCCCCC=CCCCCCCCC
• IUPAC Name: 2-[(Z)-octadec-9-enoyl]oxyethyl (Z)-octadec-9-enoate
• InChIKey: NKSOSPOXQKNIKJ-CLFAGFIQSA-N
• INCHI: 1S/C38H70O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(39)41-35-36-42-38(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-36H2,1-2H3/b19-17-,20-18-
• Isomeri SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCCOC(=O)CCCCCCC/C=C\CCCCCCCC

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Dicarboxylic acids and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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

Proprietà chimiche e fisiche

• Solubilità: toluene, ethanol and ; acetone: soluble (dispersible in water)
• Punto di infiammabilità (°C): 299.3℃
• Punto di ebollizione (°C): 633.6℃at 760 mmHg
• Punto di fusione (°C): −15 °C
• Peso molecolare: 591.000 g/mol
• XLogP3: 15.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 35
• Exact Mass: 590.527 Da
• Monoisotopic Mass: 590.527 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 571.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1

Riferimenti

1. Ying Yu, Shuang Ren, Lixia Shang, Baoyan Zuo, Guofei Li, Jingxin Gou, Wei Zhang.  (2024)  Prolonged joint cavity retention of tranexamic acid achieved by a solid-in-oil-in-gel system: A preliminary study.  INTERNATIONAL JOURNAL OF PHARMACEUTICS,      [PMID:38871135] [10.1016/j.ijpharm.2024.124334]