tris(4-methylphenyl) phosphate

• ChemBase ID: 111960
• Molecular Formular: C21H21O4P
• Molecular Mass: 368.362801
• Monoisotopic Mass: 368.11774578
• SMILES: Cc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1
• Canonical SMILES: Cc1ccc(cc1)OP(=O)(Oc1ccc(cc1)C)Oc1ccc(cc1)C
• InChI: InChI=1S/C21H21O4P/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21/h4-15H,1-3H3
• InChIKey: BOSMZFBHAYFUBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(4-methylphenyl) phosphate
• IUPAC Traditional name: tri-P-cresyl phosphate
• Synonyms: TRI-p-CRESYL PHOSPHATE

Database IDs

• CAS Number: 78-32-0
• PubChem SID: 162098201
• PubChem CID: 6529

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.627918
• LogD (pH = 7.4): 6.627918
• Log P: 6.627918
• Molar Refractivity: 102.5552 cm^3
• Polarizability: 40.086414 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 78°C

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• Risk Statements: R:21/22-51/53
• Safety Statements: S:28-61

DETAILS

MP Biomedicals - 05221956

MP Biomedicals Rare Chemical collection