| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM976567-1 |
| Product Name | Diethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate |
| CAS | 976-56-7 |
| Structure |  |
| Synonyms | Phosphonic acid, ((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)-, diethyl ester |
| IUPAC Name | 2,6-Ditert-butyl-4-(diethoxyphosphorylmethyl)phenol |
| Molecular Weight | 356.4 |
| Molecular Formula | C19H33O4P |
| Canonical SMILES | CCOP(=O)(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)OCC |
| InChI | InChI=1S/C19H33O4P/c1-9-22-24(21,23-10-2)13-14-11-15(18(3,4)5)17(20)16(12-14)19(6,7)8/h11-12,20H,9-10,13H2,1-8H3 |
| InChIKey | GJDRKHHGPHLVNI-UHFFFAOYSA-N |
| Boiling Point | 417.0±33.0 °C |
| Melting Point | 122 °C |
| Density | 1.046±0.06 g/cm3 |
| Complexity | 402 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 356.21164653 |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 356.21164653 |
| Physical State | White or slightly yellowish crystalline powder |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 55.8 Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| MSDS | Download MSDS |
| COA | Download COA |
| Spec Sheet | Download Spec Sheet |
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![2,2-Bis[[3-(dodecylthio)-1-oxopropoxy]methyl]propane-1,3-diyl bis[3-(dodecylthio)propionate]](https://resource.alfa-chemistry.com/structure/29598-76-3.gif)