Ethyl cellulose
Relevant Data
Food Additives Approved in the United States
Food Additives Approved by WHO:
General Information
| Chemical name | Ethyl cellulose |
| E No. | E 462 |
| INS. | 462 |
| CAS number | 9004-57-3 |
| Group | No |
| Component of the group |
Group I, Additives (Group I) |
From webgate.ec.europa.eu
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