ETHYL CELLULOSE
Relevant Data
Food Additives Approved in the United States
Food Additives Approved by European Union:
General Information
| Chemical Names: | ETHYL ETHER OF CELLULOSE; CELLULOSE ETHYL ETHER |
| CAS number: | 9004-57-3 |
| INS: | 462 |
| Functional Class: |
Food Additives ADJUVANT THICKENER CARRIER BULKING_AGENT TABLETING_AID |
From apps.who.int
Evaluations
| Evaluation year: | 1989 |
| ADI: | NOT SPECIFIED |
| Meeting: | 35 |
| Specs Code: | S |
| Comments: | Group ADI for modified celluloses: ethyl cellulose, ethyl hydroxyethyl cellulose, hydroxypropyl cellulose, hydroxypropylmethyl cellulose, methyl cellulose, methyl ethyl cellulose, and sodium carboxymethyl cellulose |
| Report: | TRS 789-JECFA 35/24 |
| Tox Monograph: | FAS 26-JECFA 35/82 |
| Specification: | COMPENDIUM ADDENDUM 9/FNP 52 Add.9/192 (METALS LIMITS) (2001). R; FAO JECFA Monographs 1 vol.2/21 |
From apps.who.int
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 166304 |
| IUPAC Name | 2-[N-butyl-4-[(2,6-dicyano-4-nitrophenyl)diazenyl]-3-methylanilino]ethyl acetate |
| InChI | InChI=1S/C23H24N6O4/c1-4-5-8-28(9-10-33-17(3)30)20-6-7-22(16(2)11-20)26-27-23-18(14-24)12-21(29(31)32)13-19(23)15-25/h6-7,11-13H,4-5,8-10H2,1-3H3 |
| InChI Key | ARSKJXYLLONUAJ-UHFFFAOYSA-N |
| Canonical SMILES | CCCCN(CCOC(=O)C)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2C#N)[N+](=O)[O-])C#N)C |
| Molecular Formula | C23H24N6O4 |
| Wikipedia | ethyl cellulose |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 448.483 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 10 |
| Complexity | 768.0 |
| CACTVS Substructure Key Fingerprint | A A A D c e B 7 u A A A A A A A A A A A A A A A A A A A A A A A A A A w Y A A A A A A A A A A B Q A A A H g A M A A A A D A j h m A Y y y I M Q R A C b B i T S S w C i A A A h A g A o i A A I Z I o K o C L A k Z G H I A h g g A D Y y A 8 Q g E A O A A C C Q A A C A A A A A Q S A A A Q A A A A A A A A A A A = = |
| Topological Polar Surface Area | 148.0 |
| Monoisotopic Mass | 448.186 |
| Exact Mass | 448.186 |
| XLogP3 | None |
| XLogP3-AA | 4.6 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
From Pubchem