Pentaerythritol heptanoate phosphate

Base Information

• Chemical Name: Pentaerythritol heptanoate phosphate
• CAS No.: 67762-76-9
• Molecular Formula: C12H25O8P
• Molecular Weight: 328.2959
• DSSTox Substance ID: DTXSID50987094
• Wikidata: Q82975271

Synonyms:Pentaerythritol heptanoate phosphate;67762-76-9;Heptanoic acid, pentaerythritol, phosphorus oxychloride ester;DTXSID50987094;Heptanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol phosphate;A836120;[2,2-bis(hydroxymethyl)-3-phosphonooxy-propyl] heptanoate;2,2-Bis(hydroxymethyl)-3-(phosphonooxy)propyl heptanoate;heptanoic acid [2,2-bis(hydroxymethyl)-3-phosphonooxypropyl] ester

Chemical Property of Pentaerythritol heptanoate phosphate

Chemical Property:

• Vapor Pressure: 1.18E-13mmHg at 25°C
• Boiling Point: 534.5°C at 760 mmHg
• Flash Point: 277.1°C
• Density: 1.309g/cm³
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 13
• Exact Mass: 328.12870475
• Heavy Atom Count: 21
• Complexity: 336

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCC(=O)OCC(CO)(CO)COP(=O)(O)O

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