Dioctylisophthalate
dioctyl benzene-1,3-dicarboxylate
Also Known As: Dioctyl isophthalate|dioctylisophthalate|Dioctylisophthalat|dioctyl benzene-1,3-dicarboxylate|Di-n-octylisophthalate|Isophthalic acid dioctyl ester|Isophthalic acid, bis-n-octyl ester|Isophthalic Acid, Bis-n-nOctyl Ester|MSK160453-1000H|1,3-Benzenedicarboxylic acid dioctyl ester|1,3-Benzenedicarboxylic acid, dioctyl ester|1,3-DIOCTYL BENZENE-1,3-DICARBOXYLATE|Di-n-octyl isophthalate Solution in Hexane, 1000ug/mL
| Molecular Formula | C24H38O4 |
|---|---|
| Molecular Weight | 390.277 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 390.277 |
| Monoisotopic Mass | 390.277 |
| Heavy Atoms | 28 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 5436-91-9 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C1=CC(=CC=C1)C(=O)OCCCCCCCC |
| InChIKey | LERGDXJITDVDBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dioctylisophthalate (CAS 5436-91-9), with molecular formula C24H38O4 and molecular weight 390.277 g/mol. IUPAC: dioctyl benzene-1,3-dicarboxylate.
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