340642

Cellulose acetate propionate

average M_n ~15,000 by GPC, powder

• Empirical Formula (Hill Notation): C₇₆H₁₁₄O₄₉
• CAS Number: 9004-39-1
• Molecular Weight: 1811.69
• MDL number: MFCD00146341
• UNSPSC Code: 12162002
• PubChem Substance ID: 24860837
• NACRES: NA.23

Properties

• form: powder
• mol wt: average M_n ~15,000 by GPC
• extent of labeling: 0.0-1.0 wt. % Acetyl; ~5 wt. % Hydroxyl; 40-45 wt. % Propionyl
• mp: 188-210 °C (lit.)
• density: 1.23 g/mL at 25 °C (lit.)
• SMILES string: OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O.CC(=O)OC[C@H]3O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3O[C@@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O.CCC(=O)OC[C@H]5O[C@@H](OC(=O)CC)[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H]5O[C@@H]6O[C@H](COC(=O)CC)[C@@H](OC(=O)CC)[C@H](OC(=O)CC)[C@H]6OC(=O)CC
• InChI: 1S/C36H54O19.C28H38O19.C12H22O11/c1-9-21(37)45-17-19-29(49-23(39)11-3)31(50-24(40)12-4)34(53-27(43)15-7)36(48-19)55-30-20(18-46-22(38)10-2)47-35(54-28(44)16-8)33(52-26(42)14-6)32(30)51-25(41)13-5;1-11(29)37-9-19-21(39-13(3)31)23(40-14(4)32)26(43-17(7)35)28(46-19)47-22-20(10-38-12(2)30)45-27(44-18(8)36)25(42-16(6)34)24(22)41-15(5)33;13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h19-20,29-36H,9-18H2,1-8H3;19-28H,9-10H2,1-8H3;3-20H,1-2H2/t19-,20-,29-,30-,31+,32+,33-,34-,35+,36+;19-,20-,21-,22-,23+,24+,25-,26-,27-,28+;3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m111/s1
• InChI key: HKQOBOMRSSHSTC-DIBAFDJWSA-N

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk_germany: nwg
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)