| Catalog Number |
ACM352431244 |
| CAS |
352431-24-4 |
| Structure |
 |
| Synonyms |
GLYCERYL TRI(OCTANOATE-D15);Trioctanoin-d45 (tri-octyl-d45) |
| IUPAC Name |
2,3-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecadeuteriooctanoyloxy)propyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecadeuteriooctanoate |
| Molecular Weight |
515.96 |
| Molecular Formula |
C27H5D45O6 |
| Canonical SMILES |
CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC |
| InChI |
InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3/i1D3,2D3,3D3,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D2,19D2,20D2,21D2 |
| InChI Key |
VLPFTAMPNXLGLX-PMCKLPPWSA-N |
| Purity |
98 atom % D |
| Exact Mass |
515.64300 |
| Hazards |
Non-hazardous for transport. |
| Isomeric SMILES |
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OCC(COC(=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])OC(=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H] |
| Isotopic Enrichment |
98 atom % D |
| Stability |
Stable if stored under recommended conditions. After three years, the compound should be re-analyzed for chemical purity before use. |
| Storage Conditions |
Store at room temperature |
| Unlabeled CAS |
538-23-8 |
| Unlabeled Synonyms |
Trioctanoin; Tricaprylin; Glycerol tricaprylate |
