Bis(2-ethylhexyl) Azelate - ≥98%(GC) , CAS No.103-24-2

CAS: 103-24-2 Cat. No.: B153098 Peso molecular: 412.66 Número EC: 203-091-7

GRADE & PURITY ≥98%(GC)

Synonyms

Di-(2-athylhexyl)-azelat | CAS-103-24-2 | Plastolein 9058DOZ | 5D67SBH6QB | Nonanedioic acid, 1,9-bis(2-ethylhexyl) ester | DOZ | UNII-5D67SBH6QB | Azelaic acid, di(2-ethylhexyl)ester | Azelaic acid, di(2-ethylhexyl) ester | Plastolein 9058 DOZ | FT-07553

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Di-(2-athylhexyl)-azelat | CAS-103-24-2 | Plastolein 9058DOZ | 5D67SBH6QB | Nonanedioic acid, 1, 9-bis(2-ethylhexyl) ester | DOZ | UNII-5D67SBH6QB | Azelaic acid, di(2-ethylhexyl)ester | Azelaic acid, di(2-ethylhexyl) ester | Plastolein 9058 DOZ | FT-07553

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 504751418
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751418
• Sonrisas canónicas: CCCCC(CC)COC(=O)CCCCCCCC(=O)OCC(CC)CCCC
• IUPAC Name: bis(2-ethylhexyl) nonanedioate
• InChIKey: ZDWGXBPVPXVXMQ-UHFFFAOYSA-N
• INCHI: 1S/C25H48O4/c1-5-9-16-22(7-3)20-28-24(26)18-14-12-11-13-15-19-25(27)29-21-23(8-4)17-10-6-2/h22-23H,5-21H2,1-4H3
• Isómeros SMILES: CCCCC(CC)COC(=O)CCCCCCCC(=O)OCC(CC)CCCC
• Peso molecular: 412.66
• Reaxy-Rn: 1806182
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1806182&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Punto de inflamación (°F): 211°C
• Punto de inflamación (°C): 211°C
• Peso molecular: 412.600 g/mol
• XLogP3: 8.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 22
• Exact Mass: 412.355 Da
• Monoisotopic Mass: 412.355 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 358.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Xiaojiang Liang, Yanren Fei, Qinglong Xie, Yang Liu, Meizhen Lu, Fan Xia, Yong Nie, Jianbing Ji.  (2019)  Sulfuryl Fluoride Absorption from Fumigation Exhaust Gas by Biobased Solvents: Thermodynamic and Quantum Chemical Analysis.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.8b06112]