(2S,4R,5R)-4-[(1E)-1-Pentadecen-1-Yl]-2-Phenyl-1,3-Dioxan-5-Ol
[CAS# 114275-39-7]

Identification

• Name: (2S,4R,5R)-4-[(1E)-1-Pentadecen-1-Yl]-2-Phenyl-1,3-Dioxan-5-Ol
• Synonyms: (2R,3R,4E)-1,3-O-Benzylidene-4-octadecene-1,2,3-triol; B7541_SIGMA
• Molecular Formula: C₂₅H₄₀O₃
• Molecular Weight: 388.58
• CAS Registry Number: 114275-39-7
• SMILES: O1[C@@H](O[C@H](/C=C/CCCCCCCCCCCCC)[C@H](O)C1)c2ccccc2
• InChI: 1S/C25H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24-23(26)21-27-25(28-24)22-18-15-14-16-19-22/h14-20,23-26H,2-13,21H2,1H3/b20-17+/t23-,24-,25+/m1/s1
• InChIKey: QNTPMQQWQQXCFP-SSCCHPJCSA-N

Properties

• Density: 1.013g/cm³ (Cal.)
• Boiling point: 499.018°C at 760 mmHg (Cal.)
• Flash point: 255.597°C (Cal.)
• Refractive index: 1.532 (Cal.)