(Z)-7-[(4S,5R)-2,2-Dimethyl-4-Phenyl-1,3-Dioxan-5-Yl]Hept-5-Enoic Acid
[CAS# 104693-32-5]

Identification

• Name: (Z)-7-[(4S,5R)-2,2-Dimethyl-4-Phenyl-1,3-Dioxan-5-Yl]Hept-5-Enoic Acid
• Synonyms: 5-Heptenoic Acid, 7-(2,2-Dimethyl-4-Phenyl-1,3-Dioxan-5-Yl)-, (4Alpha,5Alpha(Z))-; 7-(2,2-Dimethyl-4-Phenyl-1,3-Dioxan-5-Yl)Heptenoic Acid; 7-Ddpdha
• Molecular Formula: C₁₉H₂₆O₄
• Molecular Weight: 318.41
• CAS Registry Number: 104693-32-5
• SMILES: [C@@H]1(OC(OC[C@H]1C\C=C/CCCC(=O)O)(C)C)C2=CC=CC=C2
• InChI: 1S/C19H26O4/c1-19(2)22-14-16(12-6-3-4-9-13-17(20)21)18(23-19)15-10-7-5-8-11-15/h3,5-8,10-11,16,18H,4,9,12-14H2,1-2H3,(H,20,21)/b6-3-/t16-,18-/m1/s1
• InChIKey: NCTKBYPUWBMEBQ-CDITXYPMSA-N

Properties

• Density: 1.063g/cm³ (Cal.)
• Boiling point: 464.651°C at 760 mmHg (Cal.)
• Flash point: 161.02°C (Cal.)