Hexanedioic Acid, Di-C16-28-Branched Alkyl Esters
[CAS# 71662-49-2]

Identification

• Name: Hexanedioic Acid, Di-C16-28-Branched Alkyl Esters
• Synonyms: [(4R,5S)-4-Butyl-5-Propyl-Nonyl] [(2R,5S)-2-Butyl-5-Propyl-Nonyl] Hexanedioate; Hexanedioic Acid [(4R,5S)-4-Butyl-5-Propylnonyl] Ester [(2R,5S)-2-Butyl-5-Propylnonyl] Ester; Adipic Acid [(4R,5S)-4-Butyl-5-Propyl-Nonyl] Ester [(2R,5S)-2-Butyl-5-Propyl-Nonyl] Ester
• Molecular Formula: C₃₈H₇₄O₄
• Molecular Weight: 595.00
• CAS Registry Number: 71662-49-2
• SMILES: [C@H]([C@H](CCCC)CCC)(CCCOC(=O)CCCCC(OC[C@@H](CC[C@H](CCCC)CCC)CCCC)=O)CCCC
• InChI: 1S/C38H74O4/c1-7-13-22-33(20-11-5)29-30-34(23-14-8-2)32-42-38(40)28-18-17-27-37(39)41-31-19-26-36(25-16-10-4)35(21-12-6)24-15-9-3/h33-36H,7-32H2,1-6H3/t33-,34+,35-,36+/m0/s1
• InChIKey: IHPZJUVJMRKHMR-IHUVGRGJSA-N

Properties

• Density: 0.896g/cm³ (Cal.)
• Boiling point: 536.772°C at 760 mmHg (Cal.)
• Flash point: 237.875°C (Cal.)