Thio-Picolinic Acid O-Butyl Ester
[CAS# 5613-16-1]

Identification

• Name: Thio-Picolinic Acid O-Butyl Ester
• Synonyms: 4-(4-Hydroxyphenyl)-2,7,7-Trimethyl-5-Oxo-1,4,6,8-Tetrahydroquinoline-3-Carboxylic Acid Cyclohexyl Ester; 4-(4-Hydroxyphenyl)-5-Keto-2,7,7-Trimethyl-1,4,6,8-Tetrahydroquinoline-3-Carboxylic Acid Cyclohexyl Ester; Ivk/2000555
• Molecular Formula: C₂₅H₃₁NO₄
• Molecular Weight: 409.52
• CAS Registry Number: 5613-16-1
• SMILES: C4=C(C1C3=C(NC(=C1C(OC2CCCCC2)=O)C)CC(C)(C)CC3=O)C=CC(=C4)O
• InChI: 1S/C25H31NO4/c1-15-21(24(29)30-18-7-5-4-6-8-18)22(16-9-11-17(27)12-10-16)23-19(26-15)13-25(2,3)14-20(23)28/h9-12,18,22,26-27H,4-8,13-14H2,1-3H3
• InChIKey: RLXAZLDAPSODOC-UHFFFAOYSA-N

Properties

• Density: 1.219g/cm³ (Cal.)
• Boiling point: 580.646°C at 760 mmHg (Cal.)
• Flash point: 304.964°C (Cal.)