Diisooctyl azelate

• Catalog Number: ACM26544172-1
• Product Name: Diisooctyl azelate
• CAS: 26544-17-2
• Category: Polymer/Macromolecule
• Synonyms: Nonanedioic acid, 1,9-diisooctyl ester
• IUPAC Name: Bis(6-methylheptyl) nonanedioate
• Molecular Weight: 412.6
• Molecular Formula: C25H48O4
• Canonical SMILES: CC(C)CCCCCOC(=O)CCCCCCCC(=O)OCCCCCC(C)C
• InChI: InChI=1S/C25H48O4/c1-22(2)16-10-8-14-20-28-24(26)18-12-6-5-7-13-19-25(27)29-21-15-9-11-17-23(3)4/h22-23H,5-21H2,1-4H3
• InChI Key: CYNJQGPDCDNZBL-UHFFFAOYSA-N
• Boiling Point: 208-210 °C
• Melting Point: 55-65 °C
• Flash Point: >230 °F
• Density: 0.905 g/mL
• Alpha Sort: Diisooctyl azelate
• Complexity: 354
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Exact Mass: 412.35526001
• Formal Charge: 0
• Heavy Atom Count: 29
• Hydrogen Bond Acceptor Count: 44
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• Monoisotopic Mass: 412.35526001
• Rotatable Bond Count: 22
• Topological Polar Surface Area: 52.6 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• Viscosity: 12.7cs (38°C)

Custom Q&A

What is the PubChem CID of diisooctyl azelate?

The PubChem CID of diisooctyl azelate is 66934.

What is the molecular formula of diisooctyl azelate?

The molecular formula of diisooctyl azelate is C25H48O4.

What are the synonyms of diisooctyl azelate?

The synonyms of diisooctyl azelate are Nonanedioic acid, diisooctyl ester and bis(6-methylheptyl) nonanedioate.

What is the molecular weight of diisooctyl azelate?

The molecular weight of diisooctyl azelate is 412.6 g/mol.

What is the IUPAC name of diisooctyl azelate?

The IUPAC name of diisooctyl azelate is bis(6-methylheptyl) nonanedioate.

What is the InChI of diisooctyl azelate?

The InChI of diisooctyl azelate is InChI=1S/C25H48O4/c1-22(2)16-10-8-14-20-28-24(26)18-12-6-5-7-13-19-25(27)29-21-15-9-11-17-23(3)4/h22-23H,5-21H2,1-4H3.

What is the InChIKey of diisooctyl azelate?

The InChIKey of diisooctyl azelate is CYNJQGPDCDNZBL-UHFFFAOYSA-N.

What is the canonical SMILES of diisooctyl azelate?

The canonical SMILES of diisooctyl azelate is CC(C)CCCCCOC(=O)CCCCCCCC(=O)OCCCCCC(C)C.

What is the CAS number of diisooctyl azelate?

The CAS number of diisooctyl azelate is 106-03-6.

What is the XLogP3-AA value of diisooctyl azelate?

The XLogP3-AA value of diisooctyl azelate is 8.5.