Propanoic acid, isooctyl ester

Base Information

• Chemical Name: Propanoic acid, isooctyl ester
• CAS No.: 9036-63-9
• Molecular Formula: C11H22O2
• Molecular Weight: 552.83
• DSSTox Substance ID: DTXSID7071866
• Nikkaji Number: J441.248F
• Wikidata: Q81999688
• Mol file: 9036-63-9.mol

Synonyms:CCRIS 4353;9036-63-9;Propanoic acid, isooctyl ester;68928-75-6;Propanoic acid 6-methylheptyl ester;6-Methylheptyl propionate;SCHEMBL544669;DTXSID7071866

Chemical Property of Propanoic acid, isooctyl ester

Chemical Property:

• Vapor Pressure: 0.158mmHg at 25°C
• Boiling Point: 214.2°Cat760mmHg
• Flash Point: 82.9°C
• PSA: 78.90000
• Density: 0.87g/cm³
• LogP: 8.58320
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 186.161979940
• Heavy Atom Count: 13
• Complexity: 130

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)OCCCCCC(C)C