Cat No:BME-0093
Tri-m-cresyl phosphate is an organophosphate ester supplied at ≥95% by gas chromatography. It is insoluble in water, readily soluble in toluene, soluble in ether and acetone, and slightly soluble in alcohol. Listed physical properties include a refractive index of 1.56, a 20°C melting point, and a boiling point of 240°C at 3 mmHg.
| Chemical Formula | C₂₁H₂₁O₄P |
| Molecular Weight | 368.37 g/mol |
| Storage Conditions | Store at 2–8°C under argon. |
| Purity | ≥95% (GC) |
| EC Number | 209-241-8 |
| English Synonyms | Tri-m-cresyl phosphate; tri-m-tolyl phosphate; tris(3-methylphenyl) phosphate; TMTP |
| Specification | ≥95% (GC) |
| Molecular Type | Small molecule |
| Solubility | Insoluble in water; readily soluble in toluene; soluble in ether and acetone; slightly soluble in alcohol |
| Melting Point | 20 °C |
| Boiling Point | 240 °C/3 mmHg |
| Refractive Index | 1.56 |
| Sensitivity | Moisture-sensitive |
| PubChem CID | 11232 |
| PubChem SID | 504752089 |
| IUPAC Name | tris(3-methylphenyl) phosphate |
| 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 |
| InChI Key | RMLPZKRPSQVRAB-UHFFFAOYSA-N |
| SMILES | CC1=CC(=CC=C1)OP(=O)(OC2=CC=CC(=C2)C)OC3=CC=CC(=C3)C |
| Isomeric SMILES | CC1=CC(=CC=C1)OP(=O)(OC2=CC=CC(=C2)C)OC3=CC=CC(=C3)C |
| Reaxys RN | 2063138 |
| UN Number | 2574 |
| Packing Group | II |
| Hazard Class | 6.1 |
| GHS Pictograms | GHS07, GHS09 |
| Signal Word | Warning |
| Hazard Statements | H302: Harmful if swallowed. H312: Harmful in contact with skin. H400: Very toxic to aquatic life. H411: Toxic to aquatic life with long-lasting effects. H302+H312: Harmful if swallowed or in contact with skin. |
| Precautionary Statements | P264, P270, P273, P280, P321, P330, P391, P302+P352, P362+P364, P501, P301+P317, P317 |
| Merck Index | 9763 |
| Shipping Conditions | Low-temperature transport |
| Available Package Sizes | 1g, 5g, 25g, 100g |
| XLogP3 | 6.100 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 368.118 Da |
| Monoisotopic Mass | 368.118 Da |
| Topological Polar Surface Area | 44.800 Ų |
| Heavy Atom Count | 26 |
| Complexity | 416.000 |
| Covalently Bonded Unit Count | 1 |
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