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| IUPAC Name: | 6-O-benzyl 1-O-octyl hexanedioate |
| Description: | Benzyl Octyl Adipate (CAS# 3089-55-2) is used as a plasticizer. It can also be used for the synthesis of orally effective acid prodrugs of the β-Lactamase inhibitor Sulbactam (S699185). |
| Molecular Weight: | 348.48 |
| Molecular Formula: | C21H32O4 |
| Canonical SMILES: | CCCCCCCCOC(=O)CCCCC(=O)OCC1=CC=CC=C1 |
| InChI: | InChI=1S/C21H32O4/c1-2-3-4-5-6-12-17-24-20(22)15-10-11-16-21(23)25-18-19-13-8-7-9-14-19/h7-9,13-14H,2-6,10-12,15-18H2,1H3 |
| InChI Key: | DECACTMEFWAFRE-UHFFFAOYSA-N |
| Boiling Point: | 434.2 °C at 760 mmHg |
| Density: | 1.013 g/cm3 |
| MDL: | MFCD00048940 |
| LogP: | 5.19390 |
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(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
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