Calcium 2-(3-Formyl-5-Methoxycarbonyl-2-Methyl-3,4-Dihydro-2H-Pyran-4-Yl)Acetate
[CAS# 38164-87-3]

Identification

• Name: Calcium 2-(3-Formyl-5-Methoxycarbonyl-2-Methyl-3,4-Dihydro-2H-Pyran-4-Yl)Acetate
• Synonyms: Calcium 2-(5-Carbomethoxy-3-Formyl-2-Methyl-3,4-Dihydro-2H-Pyran-4-Yl)Acetate; Calcium 2-(3-Methanoyl-5-Methoxycarbonyl-2-Methyl-3,4-Dihydro-2H-Pyran-4-Yl)Ethanoate; 2H-Pyran-4-Acetic Acid, 3-Formyl-3,4-Dihydro-5-(Methoxycarbonyl)-2-Methyl-, Calcium Salt (2:1), (2S-(2Alpha,3Alpha,4Beta))-
• Molecular Formula: C₂₂H₂₆CaO₁₂
• Molecular Weight: 522.52
• CAS Registry Number: 38164-87-3
• SMILES: C(C1C(=COC(C1C=O)C)C(OC)=O)C([O-])=O.C(C2C(=COC(C2C=O)C)C(OC)=O)C([O-])=O.[Ca++]
• InChI: 1S/2C11H14O6.Ca/c2*1-6-8(4-12)7(3-10(13)14)9(5-17-6)11(15)16-2;/h2*4-8H,3H2,1-2H3,(H,13,14);/q;;+2/p-2
• InChIKey: LXHSHPBNTMXMPF-UHFFFAOYSA-L

Properties

• Boiling point: 408.9°C at 760 mmHg (Cal.)
• Flash point: 158.2°C (Cal.)