5-Methyl-4-(3-Methylbut-2-Enyl)-3a,4,7,7a-Tetrahydroisobenzofuran-1,3-Dione
[CAS# 97047-91-1]

Identification

• Name: 5-Methyl-4-(3-Methylbut-2-Enyl)-3a,4,7,7a-Tetrahydroisobenzofuran-1,3-Dione
• Synonyms: 5-Methyl-4-(3-Methylbut-2-Enyl)-3A,4,7,7A-Tetrahydroisobenzofuran-1,3-Dione; 5-Methyl-4-(3-Methylbut-2-Enyl)-3A,4,7,7A-Tetrahydroisobenzofuran-1,3-Quinone
• Molecular Formula: C₁₄H₁₈O₃
• Molecular Weight: 234.29
• CAS Registry Number: 97047-91-1 (16726-03-7)
• EINECS: 240-782-2
• SMILES: C(C2C1C(C(=O)OC1=O)CC=C2C)C=C(C)C
• InChI: 1S/C14H18O3/c1-8(2)4-6-10-9(3)5-7-11-12(10)14(16)17-13(11)15/h4-5,10-12H,6-7H2,1-3H3
• InChIKey: KPKSFNJCYGUOHN-UHFFFAOYSA-N

Properties

• Density: 1.082g/cm³ (Cal.)
• Boiling point: 364.057°C at 760 mmHg (Cal.)
• Flash point: 167.509°C (Cal.)