Phosphoric acid, (1-methyl-1-phenylethyl)phenyl diphenyl ester
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Basic information
- CAS
34364-42-6- Standard SMILES
CC(C)c1cc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc(-c2ccccc2)c1- InChIKey
KMLCDKUGVGTGBJ-UHFFFAOYSA-N- Molecular formula
- C27H25O4P
- Average molar mass
- 444.5 g/mol
- Monoisotopic mass
- 444.14904627
Names & identifiers
- Preferred name
- Phosphoric acid, (1-methyl-1-phenylethyl)phenyl diphenyl ester
- IUPAC
- diphenyl (3-phenyl-5-propan-2-ylphenyl) phosphate
- English name
- (1-methyl-1-phenylethyl)phenyl diphenyl phosphate
- Molecular formula
- C27H25O4P
- Molecular weight
- 444.458761
Names & synonyms
EINECS 251-965-1Phosphoric acid, (1-methyl-1-phenylethyl)phenyl diphenyl esterRefChem:17367134364-42-6CUMYLPHENYLDIPHENYLPHOSPHATE(1-methyl-1-phenylethyl)phenyl diphenyl phosphatePHOSPHORICACID,(1-METHYL-1-PHENYL)PHENYLDIPHENYLESTER
Database identifiers
- CAS
34364-42-6- PubChem CID
- 36800
- EC Number
- 251-965-1
Properties
Computed structural propertiesFilling in
- XLogP
- 7.7
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 566
Physicochemical properties
- EPA Substance Registry System
- Cumylphenyl diphenyl phosphate (34364-42-6)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Applications
Uses4-Cumylphenyl diphenyl phosphate is a phosphorus flame retardant additive.
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Related reactions
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Compound notes
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