Dioctyl phenyl phosphate
Basic information
- CAS
6161-81-5- Standard SMILES
CCCCCCCCOP(=O)(OCCCCCCCC)Oc1ccccc1- InChIKey
QHGRPTNUHWYCEN-UHFFFAOYSA-N- Molecular formula
- C22H39O4P
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.25859672
Names & identifiers
- Preferred name
- Dioctyl phenyl phosphate
- IUPAC
- dioctyl phenyl phosphate
- English name
- Di-n-octyl phenyl phosphate
- Molecular formula
- C22H39O4P
- Molecular weight
- 398.52
Names & synonyms
Dioctyl phenyl phosphate6161-81-5Di-n-octyl phenyl phosphateEINECS 228-190-2dioctylphenylphosphoric acidSCHEMBL2150577DTXSID20210629NS00022506Di-n-octylphenylphosphate,96%Phosphoric acid dioctylphenyl esterPhosphoric acid dioctyl=phenyl ester
Database identifiers
- CAS
6161-81-5- PubChem CID
- 80269
- DTXSID
DTXSID20210629- EC Number
- 228-190-2
- Nikkaji
- J211.429A
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 18
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 347
Physicochemical properties
- Boiling point
- 450.3 · 450.3±18.0 °C(Predicted)
- Density
- 1.001 · 1.001±0.06 g/cm3(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…