| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM101348-2 |
| Product Name | Glyceryl triacetyl ricinoleate |
| CAS | 101-34-8 |
| Structure |  |
| Synonyms | 1,2,3-Propanetriyl (9Z,12R)-12-(acetyloxy)-9-octadecenoate;9-Octadecenoic acid, 12-(acetyloxy)-, (9Z,12R)-, 1,2,3-propanetriyl ester |
| IUPAC Name | 2,3-Bis[[(Z,12R)-12-acetyloxyoctadec-9-enoyl]oxy]propyl (Z,12R)-12-acetyloxyoctadec-9-enoate |
| Molecular Weight | 1059.54 |
| Molecular Formula | C63H110O12 |
| Canonical SMILES | CCCCCC[C@@H](OC(=O)C)C/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\C[C@H](OC(=O)C)CCCCCC)COC(=O)CCCCCCC/C=C\C[C@H](OC(=O)C)CCCCCC |
| InChI | RIXCYAQOGLLEIU-UINBUCCLSA-N |
| InChIKey | InChI=1S/C63H110O12/c1-7-10-13-34-43-57(72-54(4)64)46-37-28-22-16-19-25-31-40-49-61(67)70-52-60(75-63(69)51-42-33-27-21-18-24-30-39-48-59(74-56(6)66)45-36-15-12-9-3)53-71-62(68)50-41-32-26-20-17-23-29-38-47-58(73-55(5)65)44-35-14-11-8-2/h28-30,37-39,57-60H,7-27,31-36,40-53H2,1-6H3/b37-28-,38-29-,39-30-/t57-,58-,59-/m1/s1 |
| Boiling Point | 905.0±65.0 °C |
| Density | 0.988±0.06g/ml |
| Complexity | 1430 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 3 |
| Exact Mass | 1058.79972894 |
| Formal Charge | 0 |
| Heavy Atom Count | 75 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 0 |
| Isomeric SMILES | CCCCCC[C@@H](OC(=O)C)C/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\C[C@H](OC(=O)C)CCCCCC)COC(=O)CCCCCCC/C=C\C[C@H](OC(=O)C)CCCCCC |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 1058.79972894 |
| Physical State | Liquid |
| Rotatable Bond Count | 59 |
| Topological Polar Surface Area | 158 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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