Butixirate
[CAS# 19992-80-4]

Identification

• Name: Butixirate
• Synonyms: 4-Phenyl-1-Cyclohexanamine; 2-(4-Phenylphenyl)Butanoic Acid; (4-Phenylcyclohexyl)Amine; 2-(4-Phenylphenyl)Butyric Acid; (1,1'-Biphenyl)-4-Acetic Acid, Alpha-Ethyl-, (+-)-, Compound With Trans-4-Phenylcyclohexanamine (1:1)
• Molecular Formula: C₂₈H₃₃NO₂
• Molecular Weight: 415.57
• CAS Registry Number: 19992-80-4
• EINECS: 243-454-7
• SMILES: C1=C(C(CC)C(O)=O)C=CC(=C1)C2=CC=CC=C2.C4=C(C3CCC(N)CC3)C=CC=C4
• InChI: 1S/C16H16O2.C12H17N/c1-2-15(16(17)18)14-10-8-13(9-11-14)12-6-4-3-5-7-12;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h3-11,15H,2H2,1H3,(H,17,18);1-5,11-12H,6-9,13H2
• InChIKey: KWFFVBCJCQQAIV-UHFFFAOYSA-N

Properties

• Boiling point: 400.1°C at 760 mmHg (Cal.)
• Flash point: 296.9°C (Cal.)