3-[(2S)-Butan-2-Yl]-7-(Dihydroxymethylidene)-4-Methylisochromene-6,8-Dione
[CAS# 3615-05-2]

Identification

• Name: 3-[(2S)-Butan-2-Yl]-7-(Dihydroxymethylidene)-4-Methylisochromene-6,8-Dione
• Synonyms: 7-(Dihydroxymethylene)-4-Methyl-3-Sec-Butyl-Isochromene-6,8-Dione; 7-(Dihydroxymethylene)-4-Methyl-3-Sec-Butylisochromene-6,8-Dione; 7-(Dihydroxymethylene)-4-Methyl-3-Sec-Butyl-Isochromene-6,8-Quinone
• Molecular Formula: C₁₅H₁₆O₅
• Molecular Weight: 276.29
• CAS Registry Number: 3615-05-2
• SMILES: [C@@H](C2=C(C1=CC(=O)C(C(=O)C1=CO2)=C(O)O)C)(CC)C
• InChI: 1S/C15H16O5/c1-4-7(2)14-8(3)9-5-11(16)12(15(18)19)13(17)10(9)6-20-14/h5-7,18-19H,4H2,1-3H3/t7-/m0/s1
• InChIKey: BRZRLRLNWSLJEB-ZETCQYMHSA-N

Properties

• Density: 1.337g/cm³ (Cal.)
• Boiling point: 495.246°C at 760 mmHg (Cal.)
• Flash point: 187.179°C (Cal.)