2-Benzofuran-1,3-Dione; 2-Ethylhexanoic Acid; 2-Ethyl-2-(Hydroxymethyl)Propane-1,3-Diol; Furan-2,5-Dione; Hexanedioic Acid
[CAS# 76684-65-6]

Identification

• Name: 2-Benzofuran-1,3-Dione; 2-Ethylhexanoic Acid; 2-Ethyl-2-(Hydroxymethyl)Propane-1,3-Diol; Furan-2,5-Dione; Hexanedioic Acid
• Synonyms: Adipic Acid; 2-Ethylhexanoic Acid; 2-Ethyl-2-(Hydroxymethyl)Propane-1,3-Diol; Furan-2,5-Dione; Isobenzofuran-1,3-Dione; Adipic Acid
• Molecular Formula: C₃₂H₄₆O₁₅
• Molecular Weight: 670.71
• CAS Registry Number: 76684-65-6
• SMILES: C1=CC=CC2=C1C(OC2=O)=O.O=C3OC(=O)C=C3.C(O)C(CO)(CO)CC.C(C(C(=O)O)CC)CCC.C(C(=O)O)CCCC(=O)O
• InChI: 1S/C8H4O3.C8H16O2.C6H10O4.C6H14O3.C4H2O3/c9-7-5-3-1-2-4-6(5)8(10)11-7;1-3-5-6-7(4-2)8(9)10;7-5(8)3-1-2-4-6(9)10;1-2-6(3-7,4-8)5-9;5-3-1-2-4(6)7-3/h1-4H;7H,3-6H2,1-2H3,(H,9,10);1-4H2,(H,7,8)(H,9,10);7-9H,2-5H2,1H3;1-2H
• InChIKey: TYKZPNJUDCWNGZ-UHFFFAOYSA-N

Properties

• Boiling point: 295°C at 760 mmHg (Cal.)
• Flash point: 139.7°C (Cal.)