2-[4-(3,7,11-Trimethyl-2,6,10-Dodecatrienyl)-1-Piperazinyl]Ethyl Benzoate
[CAS# 67031-64-5]

Identification

• Name: 2-[4-(3,7,11-Trimethyl-2,6,10-Dodecatrienyl)-1-Piperazinyl]Ethyl Benzoate
• Synonyms: Benzoic Acid 2-[4-[(2E,6E)-3,7,11-Trimethyldodeca-2,6,10-Trienyl]-1-Piperazinyl]Ethyl Ester; Benzoic Acid 2-[4-[(2E,6E)-3,7,11-Trimethyldodeca-2,6,10-Trienyl]Piperazin-1-Yl]Ethyl Ester; Benzoic Acid, (2-(4-(3,7,11-Trimethyl-2,6,10-Dodecatrienyl)-1-Piperazinyl)Ethyl)
• Molecular Formula: C₂₈H₄₂N₂O₂
• Molecular Weight: 438.65
• CAS Registry Number: 67031-64-5
• SMILES: C1=CC=CC=C1C(OCCN2CCN(CC2)C\C=C(\CC\C=C(\CCC=C(C)C)C)C)=O
• InChI: 1S/C28H42N2O2/c1-24(2)10-8-11-25(3)12-9-13-26(4)16-17-29-18-20-30(21-19-29)22-23-32-28(31)27-14-6-5-7-15-27/h5-7,10,12,14-16H,8-9,11,13,17-23H2,1-4H3/b25-12+,26-16+
• InChIKey: JMLCRXQCCYNATI-CVWOJKRYSA-N

Properties

• Density: 0.995g/cm³ (Cal.)
• Boiling point: 536.804°C at 760 mmHg (Cal.)
• Flash point: 278.449°C (Cal.)