2-Phenyl-1,3-Dioxan-5-Yl (9E,12E,15E)-9,12,15-Octadecatrienoate
[CAS# 56700-76-6]

Identification

• Name: 2-Phenyl-1,3-Dioxan-5-Yl (9E,12E,15E)-9,12,15-Octadecatrienoate
• Synonyms: 2-Phenyl-1,3-dioxan-5-yl (9Z,12Z,15Z)-9,12,15-octadecatrienoate; 2-Phenyl-1,3-dioxan-5-yl 9,12,15-octadecatrienoate; 9,12,15-Octadecatrienoic acid, 2-phenyl-1,3-dioxan-2-yl ester, (Z,Z,Z)-
• Molecular Formula: C₂₈H₄₀O₄
• Molecular Weight: 440.61
• CAS Registry Number: 56700-76-6
• SMILES: O=C(OC1COC(OC1)c2ccccc2)CCCCCCC/C=C/C/C=C/C/C=C/CC
• InChI: 1S/C28H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-27(29)32-26-23-30-28(31-24-26)25-20-17-16-18-21-25/h3-4,6-7,9-10,16-18,20-21,26,28H,2,5,8,11-15,19,22-24H2,1H3/b4-3+,7-6+,10-9+
• InChIKey: IRBHZQLYNSNFLQ-IUQGRGSQSA-N

Properties

• Density: 1.034g/cm³ (Cal.)
• Boiling point: 545.794°C at 760 mmHg (Cal.)
• Flash point: 229.721°C (Cal.)