Triisodecyl Trimellitate
tris(8-methylnonyl) benzene-1,2,4-tricarboxylate
Also Known As: Triisodecyl trimellitate|tri-isodecyl trimellitate|DUB TMI|Triisodecyl benzene-1,2,4-tricarboxylate|DSSTox_CID_27180|DSSTox_RID_82177|DSSTox_GSID_47180|tris(8-methylnonyl) benzene-1,2,4-tricarboxylate|tris(8-methylnonyl) trimellitate|Tox21_302650|TRIISODECYL TRIMELLITATE [INCI]|EC 253-138-0|NCGC00256922-01|CAS-36631-30-8|1,2,4-Benzenetricarboxylic acid, 1,2,4-triisodecyl ester|1,2,4-Benzenetricarboxylic acid, triisodecyl ester|1,2,4-Benzenetricarboxylicacid,triisodecylester|1,2,4-Benzenetricarboxylic acid tris(8-methylnonyl) ester|1,2,4-Benzenetricarboxylicacid, 1,2,4-triisodecyl ester|1,2,4-tris(8-methylnonyl) benzene-1,2,4-tricarboxylate
| Molecular Formula | C39H66O6 |
|---|---|
| Molecular Weight | 630.48596 g/mol |
| LogP | 14.1 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 30 |
| Exact Mass | 630.48596 |
| Monoisotopic Mass | 630.48596 |
| Heavy Atoms | 45 |
| Complexity | 761.0 |
Chemical Identifiers
| CAS Number | 41287-75-6 |
|---|---|
| SMILES | CC(C)CCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCCC(C)C)C(=O)OCCCCCCCC(C)C |
| InChIKey | FJFYFBRNDHRTHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triisodecyl Trimellitate (CAS 41287-75-6), with molecular formula C39H66O6 and molecular weight 630.48596 g/mol. IUPAC: tris(8-methylnonyl) benzene-1,2,4-tricarboxylate.