2-[(3aS)-6-Formyl-2,2,4-Trimethyl-1,3,3a,7a-Tetrahydroinden-5-Yl]-2-Oxoacetic Acid
[CAS# 139748-98-4]

Identification

• Name: 2-[(3aS)-6-Formyl-2,2,4-Trimethyl-1,3,3a,7a-Tetrahydroinden-5-Yl]-2-Oxoacetic Acid
• Synonyms: 2-[(3As)-6-Formyl-2,2,4-Trimethyl-1,3,3A,7A-Tetrahydroinden-5-Yl]-2-Oxo-Acetic Acid; 2-[(3As)-6-Formyl-2,2,4-Trimethyl-1,3,3A,7A-Tetrahydroinden-5-Yl]-2-Keto-Acetic Acid; 2-[(3As)-6-Methanoyl-2,2,4-Trimethyl-1,3,3A,7A-Tetrahydroinden-5-Yl]-2-Oxo-Ethanoic Acid
• Molecular Formula: C₁₅H₁₈O₄
• Molecular Weight: 262.30
• CAS Registry Number: 139748-98-4
• SMILES: [C@@H]12C(CC(C1)(C)C)C=C(C(=C2C)C(=O)C(=O)O)C=O
• InChI: 1S/C15H18O4/c1-8-11-6-15(2,3)5-9(11)4-10(7-16)12(8)13(17)14(18)19/h4,7,9,11H,5-6H2,1-3H3,(H,18,19)/t9?,11-/m1/s1
• InChIKey: FUUQWZJSFLVSPA-HCCKASOXSA-N

Properties

• Density: 1.237g/cm³ (Cal.)
• Boiling point: 387.861°C at 760 mmHg (Cal.)
• Flash point: 202.541°C (Cal.)