Calcium 4-(3-Chloro-4-Cyclohexylphenyl)-4-Oxobutanoate
[CAS# 32808-51-8]

Identification

• Name: Calcium 4-(3-Chloro-4-Cyclohexylphenyl)-4-Oxobutanoate
• Synonyms: Calcium 4-(3-Chloro-4-Cyclohexyl-Phenyl)-4-Oxo-Butanoate; Calcium 4-(3-Chloro-4-Cyclohexyl-Phenyl)-4-Keto-Butyrate; 3-(3-Chloro-4-Cyclohexylbenzoyl)Propionic Acid Calcium Salt
• Molecular Formula: C₃₂H₃₆CaCl₂O₆
• Molecular Weight: 627.62
• CAS Registry Number: 32808-51-8 (32808-53-0)
• EINECS: 251-231-0
• SMILES: C1=C(Cl)C(=CC=C1C(=O)CCC([O-])=O)C2CCCCC2.C(C(=O)C3=CC=C(C(=C3)Cl)C4CCCCC4)CC([O-])=O.[Ca++]
• InChI: 1S/2C16H19ClO3.Ca/c2*17-14-10-12(15(18)8-9-16(19)20)6-7-13(14)11-4-2-1-3-5-11;/h2*6-7,10-11H,1-5,8-9H2,(H,19,20);/q;;+2/p-2
• InChIKey: FKJKZQUQHXSBHB-UHFFFAOYSA-L

Properties

• Boiling point: 482°C at 760 mmHg (Cal.)
• Flash point: 245.3°C (Cal.)