Cellulose hydrogen phthalate
[CAS# 9004-44-8]

Identification

• Name: Cellulose hydrogen phthalate
• Synonyms: 2-[[(2R,3S,4S,5R,6R)-3,4,5,6-Tetrahydroxytetrahydropyran-2-Yl]Methoxycarbonyl]Benzoic Acid; 2-[Oxo-[[(2R,3S,4S,5R,6R)-3,4,5,6-Tetrahydroxy-2-Tetrahydropyranyl]Methoxy]Methyl]Benzoic Acid; Cellulose, Hydrogen 1,2-Benzenedicarboxylate
• Molecular Formula: C₁₄H₁₆O₉
• Molecular Weight: 328.28
• CAS Registry Number: 9004-44-8
• SMILES: [C@@H]1(O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O)COC(=O)C2=C(C(=O)O)C=CC=C2
• InChI: 1S/C14H16O9/c15-9-8(23-14(21)11(17)10(9)16)5-22-13(20)7-4-2-1-3-6(7)12(18)19/h1-4,8-11,14-17,21H,5H2,(H,18,19)/t8-,9-,10+,11-,14-/m1/s1
• InChIKey: TXZSUUPEIZWNOL-YNXVLUOKSA-N

Properties

• Density: 1.631g/cm³ (Cal.)
• Boiling point: 596.401°C at 760 mmHg (Cal.)
• Flash point: 224.803°C (Cal.)