C77902

Cholesteryl hydrocinnamate

97%

• Synonym(s): 3β-Hydroxy-5-cholestene 3-hydrocinnamate, 5-Cholesten-3β-ol 3-hydrocinnamate, Cholesteryl phenylpropionate
• Empirical Formula (Hill Notation): C₃₆H₅₄O₂
• CAS Number: 14914-99-9
• Molecular Weight: 518.81
• EC Number: 238-983-5
• MDL number: MFCD00003640
• UNSPSC Code: 12352103
• PubChem Substance ID: 329775151

Properties

• assay: 97%
• form: liquid crystal
• optical activity: [α]27/D −24°, c = 2 in chloroform
• mp: 109.5-110.5 °C (lit.)
• transition temp: isotropic phase to cholesteric phase 106 °C; cholesteric phase to isotropic phase 110 °C
• SMILES string: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCc5ccccc5
• InChI: 1S/C36H54O2/c1-25(2)10-9-11-26(3)31-17-18-32-30-16-15-28-24-29(38-34(37)19-14-27-12-7-6-8-13-27)20-22-35(28,4)33(30)21-23-36(31,32)5/h6-8,12-13,15,25-26,29-33H,9-11,14,16-24H2,1-5H3/t26-,29+,30+,31-,32+,33+,35+,36-/m1/s1
• InChI key: KPNKAGLPVPTLGB-ZOJFKXTHSA-N

Safety Information

• Storage Class: 13 - Non Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)