Phosphoric acid, isooctyl ester

Base Information

• Chemical Name: Phosphoric acid, isooctyl ester
• CAS No.: 26403-12-3
• Deprecated CAS: 68311-11-5
• Molecular Formula: C8H19 O4 P
• Molecular Weight: 210.207821
• European Community (EC) Number: 235-743-1,247-671-8
• UNII: 37488031TR
• DSSTox Substance ID: DTXSID10874012
• Nikkaji Number: J248.931G
• Wikidata: Q27256626
• Mol file: 26403-12-3.mol

Synonyms:IOAP;isooctyl acid phosphate

Chemical Property of Phosphoric acid, isooctyl ester

Chemical Property:

• Boiling Point: 321.8°Cat760mmHg
• Flash Point: 148.4°C
• PSA: 76.57000
• Density: 1.127g/cm³
• LogP: -0.44000
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 210.10209608
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCCCOP(=O)(O)O