| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM563042-2 |
| Product Name | Tri-M-cresyl phosphate |
| CAS | 563-04-2 |
| Structure |  |
| Synonyms | Phosphoric acid, tris(3-methylphenyl) ester |
| Description | Wax. When mixed with its isomers (ortho and meta ), the result is a colorless, odorless liquid. (NTP, 1992) |
| IUPAC Name | Tris(3-methylphenyl) phosphate |
| Molecular Weight | 368.4 |
| Molecular Formula | C21H21O4P |
| Canonical SMILES | CC1=CC(=CC=C1)OP(=O)(OC2=CC=CC(=C2)C)OC3=CC=CC(=C3)C |
| InChI | InChI=1S/C21H21O4P/c1-16-7-4-10-19(13-16)23-26(22,24-20-11-5-8-17(2)14-20)25-21-12-6-9-18(3)15-21/h4-15H,1-3H3 |
| InChIKey | RMLPZKRPSQVRAB-UHFFFAOYSA-N |
| Boiling Point | 410 °C |
| Melting Point | 25.5 °C |
| Flash Point | 210 °C |
| Purity | 95% |
| Density | 1.16 g/cm3 |
| Solubility | slightly soluble in Alcohol;very soluble in Toluene |
| Appearance | White to Light yellow powder to lump |
| Complexity | 416 |
| Covalently-Bonded Unit Count | 1 |
| Decomposition | WHEN HEATED TO DECOMP, EMITS HIGHLY TOXIC FUMES OF /PHOSPHORUS OXIDES./ /TRI-O-CRESYL PHOSPHATE/ |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 368.11774614 |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 368.11774614 |
| Physical State | Solid |
| Rotatable Bond Count | 6 |
| Solubility In Water | Insoluble |
| Topological Polar Surface Area | 44.8 Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Vapor Pressure | 7.8X10-7 mm Hg at 25 °C (est) |
| Viscosity | 60 CENTISTOKE AT 25 °C & 4.0 CENTISTOKE AT 100 °C /ISOMERIC MIXT/ |
| MSDS | Download MSDS |
| COA | Download COA |
| Spec Sheet | Download Spec Sheet |
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![2,2-Bis[3,5-dibromo-4-(2,3-dibromopropoxy)phenyl]propane](https://resource.alfa-chemistry.com/structure/21850-44-2.gif)
