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Substance Name: Cellulose acetate trimellitate
RN: 52907-01-4
InChIKey: WZNRVWBKYDHTKI-UHFFFAOYSA-N

Note

  • Used for microencapsulation of pharmaceuticals.

Classification Codes

  • TSCA Flag XU (Exempt from Reporting under Chemical Data Reporting Rule)
  • TSCA Flag Y1 (an Exempt Polymer that has Number-Average Molecular Weight of 1,000 or Greater)

Molecular Formula

  • C9-H6-O6.x-C2-H4-O2.x-Unspecified

Molecular Weight

  • 3921.0676
 
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Names and Synonyms

Name of Substance

  • Cellulose acetate trimellitate

Synonym

  • Cellulose acetate trimellitate

Systematic Name

  • Cellulose, acetate 1,2,4-benzenetricarboxylate

Registry Numbers

CAS Registry Number

  • 52907-01-4

System Generated Number

  • 0052907014

Molecular Formulas

Molecular Formula

  • C9-H6-O6.x-C2-H4-O2.x-Unspecified

Molecular Formula Fragments

  • C2-H4-O2
  • C9-H6-O6
  • COMPONENT
  • Unspecified

Structure Descriptors

InChI

1S/C84H54O51.2C28H38O19.2C12H22O11/c85-59(86)27-1-9-35(43(17-27)67(101)102)75(117)125-25-51-53(129-77(119)37-11-3-29(61(89)90)19-45(37)69(105)106)55(130-78(120)38-12-4-30(62(91)92)20-46(38)70(107)108)57(132-80(122)40-14-6-32(64(95)96)22-48(40)72(111)112)83(127-51)134-54-52(26-126-76(118)36-10-2-28(60(87)88)18-44(36)68(103)104)128-84(135-82(124)42-16-8-34(66(99)100)24-50(42)74(115)116)58(133-81(123)41-15-7-33(65(97)98)23-49(41)73(113)114)56(54)131-79(121)39-13-5-31(63(93)94)21-47(39)71(109)110;2*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;2*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/h1-24,51-58,83-84H,25-26H2,(H,85,86)(H,87,88)(H,89,90)(H,91,92)(H,93,94)(H,95,96)(H,97,98)(H,99,100)(H,101,102)(H,103,104)(H,105,106)(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H,115,116);2*19-28H,9-10H2,1-8H3;2*3-20H,1-2H2

InChIKey

WZNRVWBKYDHTKI-UHFFFAOYSA-N

Smiles

CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C.CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C.c1cc(c(cc1C(=O)O)C(=O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)c3ccc(cc3C(=O)O)C(=O)O)OC(=O)c4ccc(cc4C(=O)O)C(=O)O)OC(=O)c5ccc(cc5C(=O)O)C(=O)O)OC6C(C(C(C(O6)COC(=O)c7ccc(cc7C(=O)O)C(=O)O)OC(=O)c8ccc(cc8C(=O)O)C(=O)O)OC(=O)c9ccc(cc9C(=O)O)C(=O)O)OC(=O)c1ccc(cc1C(=O)O)C(=O)O.C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O.C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O