Ivalin
[CAS# 5938-03-4]

Identification

• Name: Ivalin
• Synonyms: (3Ar,4As,7S,8Ar,9Ar)-7-Hydroxy-8A-Methyl-3,5-Dimethylene-3A,4,4A,6,7,8,9,9A-Octahydrobenzo[F]Benzofuran-2-One; Eudesma-4(14),11(13)-Dien-12-Oic Acid, 2,8-Dihydroxy-, Gamma-Lactone; Nsc 85237
• Molecular Formula: C₁₅H₂₀O₃
• Molecular Weight: 248.32
• CAS Registry Number: 5938-03-4
• SMILES: [C@]13([C@H](C(=C)C[C@@H](C1)O)C[C@@H]2C(=C)C(O[C@@H]2C3)=O)C
• InChI: 1S/C15H20O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h10-13,16H,1-2,4-7H2,3H3/t10-,11+,12-,13+,15+/m0/s1
• InChIKey: OVIILQQKQPCQTF-GGAZOKNXSA-N

Properties

• Density: 1.163g/cm³ (Cal.)
• Boiling point: 416.392°C at 760 mmHg (Cal.)
• Flash point: 176.861°C (Cal.)