4-(1-Methylbutyl)-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane 1-oxide

Base Information

• Chemical Name: 4-(1-Methylbutyl)-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane 1-oxide
• CAS No.: 80479-44-3
• Molecular Formula: C9H17O4P
• Molecular Weight: 220.2026
• DSSTox Substance ID: DTXSID401001269

Synonyms:4-(1-Methylbutyl)-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane 1-oxide;2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-(1-methylbutyl)-, 1-oxide;1,3-Propanediol, 2-(hydroxymethyl)-2-(1-methylbutyl)-, cyclic phosphate (1:1);80479-44-3;DTXSID401001269;LS-157663;4-(Pentan-2-yl)-2,6,7-trioxa-1lambda~5~-phosphabicyclo[2.2.2]octan-1-one

Chemical Property of 4-(1-Methylbutyl)-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane 1-oxide

Chemical Property:

• Vapor Pressure: 0.0179mmHg at 25°C
• Boiling Point: 262.3°Cat760mmHg
• Flash Point: 126.5°C
• Density: 1.18g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 220.08644602
• Heavy Atom Count: 14
• Complexity: 234

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C)C12COP(=O)(OC1)OC2

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