Cafestol Palmitate
[CAS# 81760-46-5]

Identification

• Name: Cafestol Palmitate
• Molecular Formula: C₃₆H₅₈O₄
• Molecular Weight: 554.85
• CAS Registry Number: 81760-46-5
• SMILES: [C@]23(CCC1=C(C=CO1)[C@H]2CCC45[C@H]3CC[C@@H]([C@@](COC(CCCCCCCCCCCCCCC)=O)(C4)O)C5)C
• InChI: 1S/C36H58O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-33(37)40-27-36(38)26-35-23-19-30-29-21-24-39-31(29)20-22-34(30,2)32(35)18-17-28(36)25-35/h21,24,28,30,32,38H,3-20,22-23,25-27H2,1-2H3/t28-,30-,32+,34-,35?,36+/m1/s1
• InChIKey: DGPMHJKMSANHDM-OGFNNVAASA-N

Properties

• Density: 1.067g/cm³ (Cal.)
• Boiling point: 629.774°C at 760 mmHg (Cal.)
• Flash point: 334.676°C (Cal.)