| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM81541120-1 |
| Product Name | Di-p-methylbenzylidenesorbitol |
| CAS | 81541-12-0 |
| Structure |  |
| Synonyms | 1,3:2,4-Di-p-methylbenzylidene sorbitol |
| IUPAC Name | (1R)-1-[(4R,4aR,8aS)-2,6-Bis(4-methylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol |
| Molecular Weight | 386.4 |
| Molecular Formula | C22H26O6 |
| Canonical SMILES | CC1=CC=C(C=C1)C2OCC3C(O2)C(OC(O3)C4=CC=C(C=C4)C)C(CO)O |
| InChI | InChI=1S/C22H26O6/c1-13-3-7-15(8-4-13)21-25-12-18-20(28-21)19(17(24)11-23)27-22(26-18)16-9-5-14(2)6-10-16/h3-10,17-24H,11-12H2,1-2H3/t17-,18+,19-,20-,21,22/m1/s1 |
| InChIKey | LQAFKEDMOAMGAK-RLCYQCIGSA-N |
| Melting Point | 255-262 °C |
| Complexity | 485 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 386.17293854 |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isomeric SMILES | CC1=CC=C(C=C1)C2OC[C@H]3[C@@H](O2)[C@H](OC(O3)C4=CC=C(C=C4)C)[C@@H](CO)O |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 386.17293854 |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 77.4 Ų |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| MSDS | Download MSDS |
| COA | Download COA |
| Spec Sheet | Download Spec Sheet |
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![Aluminium hydroxybis[2,2'-methylen-bis(4,6-di-tert-butylphenyl)phosphate]](https://resource.alfa-chemistry.com/structure/151841-65-5.gif)
