4-(Decyloxy)-4-{[(4S)-4-methylhexyl]oxy}-2,5-cyclohexadien-1-yl benzoate
[CAS# 92950-96-4]

Identification

• Name: 4-(Decyloxy)-4-{[(4S)-4-methylhexyl]oxy}-2,5-cyclohexadien-1-yl benzoate
• Synonyms: BENZOIC ACID, 4-(DECYLOXY)- 4-((4-METHYLHEXYL)OXY)PHENYL ESTER, (S)-
• Molecular Formula: C₃₀H₄₆O₄
• Molecular Weight: 470.68
• CAS Registry Number: 92950-96-4
• SMILES: CCCCCCCCCCOC1(C=CC(C=C1)OC(=O)c2ccccc2)OCCC[C@@H](C)CC
• InChI: 1S/C30H46O4/c1-4-6-7-8-9-10-11-15-24-32-30(33-25-16-17-26(3)5-2)22-20-28(21-23-30)34-29(31)27-18-13-12-14-19-27/h12-14,18-23,26,28H,4-11,15-17,24-25H2,1-3H3/t26-,28?,30?/m0/s1
• InChIKey: HNMXHKXVDMBHPC-SNKUFMAISA-N

Properties

• Density: 1.011g/cm³ (Cal.)
• Boiling point: 550.864°C at 760 mmHg (Cal.)
• Flash point: 229.051°C (Cal.)