| Catalog Number |
ACM91929463 |
| CAS |
91929-46-3 |
| Structure |
 |
| Synonyms |
METHYL BENZOATE-D8 |
| IUPAC Name |
trideuteriomethyl 2,3,4,5,6-pentadeuteriobenzoate |
| Molecular Weight |
144.20 |
| Molecular Formula |
C8D8O2 |
| InChI |
InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D |
| InChI Key |
QPJVMBTYPHYUOC-JGUCLWPXSA-N |
| Boiling Point |
198-199 °C (lit.) |
| Melting Point |
-12 °C (lit.) |
| Purity |
98 atom % D |
| Density |
1.152 g/mL at 25 °C |
| Chemical Formula |
C6D5COOCD3 |
| Hazards |
Non-hazardous for transport. |
| Isomeric SMILES |
[2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)OC([2H])([2H])[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 |
93-58-3 |
| Unlabeled Synonyms |
Benzoic acid methyl ester |
