Cetiedil
[CAS# 14176-10-4]

Identification

• Name: Cetiedil
• Synonyms: 2-(Azepan-1-Yl)Ethyl 2-Cyclohexyl-2-(3-Thienyl)Acetate; Citric Acid; Citric Acid; 2-Cyclohexyl-2-(3-Thienyl)Acetic Acid 2-(1-Azepanyl)Ethyl Ester; Citric Acid; 2-Cyclohexyl-2-(3-Thienyl)Acetic Acid 2-(Azepan-1-Yl)Ethyl Ester
• Molecular Formula: C₂₆H₃₉NO₉S
• Molecular Weight: 541.66
• CAS Registry Number: 14176-10-4
• EINECS: 238-028-2
• SMILES: C3=C(C(C1CCCCC1)C(OCCN2CCCCCC2)=O)C=CS3.C(C(O)(C(=O)O)CC(=O)O)C(=O)O
• InChI: 1S/C20H31NO2S.C6H8O7/c22-20(23-14-13-21-11-6-1-2-7-12-21)19(18-10-15-24-16-18)17-8-4-3-5-9-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h10,15-17,19H,1-9,11-14H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
• InChIKey: XMGJGSKRRWXOIF-UHFFFAOYSA-N

Properties

• Boiling point: 466.9°C at 760 mmHg (Cal.)
• Flash point: 236.2°C (Cal.)