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

CAS: 103-24-2 Cat. No.: B153098 Summenformel: C₂₅H₄₈O₄ Molekulargewicht: 412.66 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 504751418
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751418
• Kanonisches Lächeln: 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
• Isomere SMILES: CCCCC(CC)COC(=O)CCCCCCCC(=O)OCC(CC)CCCC
• Molekulargewicht: 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
    • Klasse Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Flammpunkt (°F): 211°C
• Flammpunkt (°C): 211°C
• Molekulargewicht: 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

Referenzen

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]

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 103-24-2, the molecular formula is C25H48O4, and the molecular weight is 412.66 g/mol. InChIKey ZDWGXBPVPXVXMQ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.