6-O-[(2R,5S)-2-butyl-5-propylnonyl] 1-O-[(4R,5S)-4-butyl-5-propylnonyl] hexanedioate

Base Information

• Chemical Name: 6-O-[(2R,5S)-2-butyl-5-propylnonyl] 1-O-[(4R,5S)-4-butyl-5-propylnonyl] hexanedioate
• CAS No.: 71662-49-2
• Molecular Formula: C38H74O4
• Molecular Weight: 594.99176
• Wikidata: Q76311419
• Mol file: 71662-49-2.mol

Synonyms:71662-49-2

Chemical Property of 6-O-[(2R,5S)-2-butyl-5-propylnonyl] 1-O-[(4R,5S)-4-butyl-5-propylnonyl] hexanedioate

Chemical Property:

• Vapor Pressure: 1.35E-11mmHg at 25°C
• Boiling Point: 536.8°C at 760 mmHg
• Flash Point: 237.9°C
• PSA: 52.60000
• Density: 0.895g/cm³
• LogP: 12.01940
• XLogP3: 14.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 33
• Exact Mass: 594.55871084
• Heavy Atom Count: 42
• Complexity: 604

Purity/Quality:

99.0%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: UVCB
• Canonical SMILES: CCCCC(CCC)CCC(CCCC)COC(=O)CCCCC(=O)OCCCC(CCCC)C(CCC)CCCC
• Isomeric SMILES: CCCC[C@H](CCC)CC[C@@H](CCCC)COC(=O)CCCCC(=O)OCCC[C@@H](CCCC)[C@@H](CCC)CCCC