5,7,7-Trimethyl-1-octyl propionate

Base Information

• Chemical Name: 5,7,7-Trimethyl-1-octyl propionate
• CAS No.: 86606-44-2
• Molecular Formula: C14H28O2
• Molecular Weight: 228.3709
• European Community (EC) Number: 289-260-6
• DSSTox Substance ID: DTXSID001006950
• Nikkaji Number: J333.968H
• Mol file: 86606-44-2.mol

Synonyms:5,7,7-Trimethyl-1-octyl propionate;86606-44-2;EINECS 289-260-6;5,7,7-trimethyloctyl propanoate;SCHEMBL10658947;5,7,7-trimethyloctyl propionate;AKFFNAUHVIDQFU-UHFFFAOYSA-N;DTXSID001006950;Propanoic acid (5,7,7-trimethyloctyl) ester

Chemical Property of 5,7,7-Trimethyl-1-octyl propionate

Chemical Property:

• Vapor Pressure: 0.0267mmHg at 25°C
• Boiling Point: 246.7°Cat760mmHg
• Flash Point: 106.2°C
• PSA: 26.30000
• Density: 0.866g/cm³
• LogP: 4.18220
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 228.208930132
• Heavy Atom Count: 16
• Complexity: 191

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)OCCCCC(C)CC(C)(C)C

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