ethyl phenyl(2,4,6-trimethylbenzoyl)phosphinate

• ChemBase ID: 70315
• Molecular Formular: C18H21O3P
• Molecular Mass: 316.331301
• Monoisotopic Mass: 316.12283116
• SMILES: P(=O)(OCC)(c1ccccc1)C(=O)c1c(cc(cc1C)C)C
• Canonical SMILES: CCOP(=O)(C(=O)c1c(C)cc(cc1C)C)c1ccccc1
• InChI: InChI=1S/C18H21O3P/c1-5-21-22(20,16-9-7-6-8-10-16)18(19)17-14(3)11-13(2)12-15(17)4/h6-12H,5H2,1-4H3
• InChIKey: ZMDDERVSCYEKPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl phenyl(2,4,6-trimethylbenzoyl)phosphinate
• IUPAC Traditional name: ethyl phenyl(2,4,6-trimethylbenzoyl)phosphinate
• Synonyms: Ethyl (2,4,6-trimethylbenzoyl)phenylphosphinate

Database IDs

• CAS Number: 84434-11-7
• MDL Number: MFCD08692488
• PubChem SID: 162036038
• PubChem CID: 16205480

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.8891
• LogD (pH = 7.4): 4.8891
• Log P: 4.8891
• Molar Refractivity: 90.0727 cm^3
• Polarizability: 34.72357 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%