Phosphoric acid, mono(3-methylbutyl) monooctyl ester

Base Information

• Chemical Name: Phosphoric acid, mono(3-methylbutyl) monooctyl ester
• CAS No.: 4396-06-9
• Molecular Formula: C13H29 O4 P
• Molecular Weight: 280.340721
• European Community (EC) Number: 224-524-6
• DSSTox Substance ID: DTXSID10884070
• Nikkaji Number: J205.775A
• Wikidata: Q82862821
• Mol file: 4396-06-9.mol

Synonyms:4396-06-9;Phosphoric acid, mono(3-methylbutyl) monooctyl ester;3-methylbutyl octyl hydrogen phosphate;Isopentyl octyl hydrogen phosphate;SCHEMBL2380935;DTXSID10884070;EINECS 224-524-6;Phosphoric acid hydrogen (3-methylbutyl)octyl ester

Chemical Property of Phosphoric acid, mono(3-methylbutyl) monooctyl ester

Chemical Property:

• Vapor Pressure: 6.36E-06mmHg at 25°C
• Boiling Point: 352.7°C at 760 mmHg
• Flash Point: 167.1°C
• PSA: 65.57000
• Density: 1.008g/cm³
• LogP: 4.52660
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 280.18034640
• Heavy Atom Count: 18
• Complexity: 231

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCOP(=O)(O)OCCC(C)C