BASIC METHACRYLATE COPOLYMER
Relevant Data
Food Additives Approved in the United States
Food Additives Approved by European Union:
General Information
| Chemical Names: | Basic methacrylate copolymer |
| CAS number: | 24938-16-7 |
| INS: | 1205 |
| Functional Class: |
Food Additives RELEASE_AGENT |
From apps.who.int
Evaluations
| Evaluation year: | 2018 |
| ADI: | NOT SPECIFIED |
| Meeting: | 86 |
| Specs Code: | N |
| Comments: | The Committee concluded that the use of basic methacrylate copolymer that complies with the specifications established at the current meeting is not of safety concern when the food additive is used as a coating or glazing agent for solid food supplements and for foods for special medical purposes and micronutrient encapsulation for food fortification. The Committee concluded that the toxicological data on the residual monomers do not give rise to concerns when taking into account the low dietary exposures. |
| Report: | TRS 1014-JECFA 86/17 |
| Specification: | FAO JECFA Monographs 22/9 |
From apps.who.int
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 107676 |
| IUPAC Name | butyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate |
| InChI | InChI=1S/C8H15NO2.C8H14O2.C5H8O2/c1-7(2)8(10)11-6-5-9(3)4;1-4-5-6-10-8(9)7(2)3;1-4(2)5(6)7-3/h1,5-6H2,2-4H3;2,4-6H2,1,3H3;1H2,2-3H3 |
| InChI Key | NEDGUIRITORSKL-UHFFFAOYSA-N |
| Canonical SMILES | CCCCOC(=O)C(=C)C.CC(=C)C(=O)OC.CC(=C)C(=O)OCCN(C)C |
| Molecular Formula | Poly[(CH2:C(CH3)CO2(CH2)2N(CH3)2)-co-(CH2:C(CH3)CO2CH3)-co-(CH2:C(CH3)CO2(CH2)3CH3)] |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 399.528 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 12 |
| Complexity | 374.0 |
| CACTVS Substructure Key Fingerprint | A A A D c f B 6 O 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 A A A A A A A A A A A A A A A A A H g A A A A A A D A D h g A Y C C A M A B A C I A g D S C A A A A A A A A A A A A A E I A E A C B A A A I Q A D A A A E A A A Q I I 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 A A A A A A A A A A = = |
| Topological Polar Surface Area | 82.1 |
| Monoisotopic Mass | 399.262 |
| Exact Mass | 399.262 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| 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 | 3 |
From Pubchem
ADMET Predicted Profile --- Classification
| Model | Result | Probability |
|---|---|---|
| Absorption | ||
| Blood-Brain Barrier | BBB+ | 0.6183 |
| Human Intestinal Absorption | HIA+ | 0.7897 |
| Caco-2 Permeability | Caco2+ | 0.5978 |
| P-glycoprotein Substrate | Substrate | 0.6431 |
| P-glycoprotein Inhibitor | Inhibitor | 0.6996 |
| Non-inhibitor | 0.8960 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.7547 |
| Distribution | ||
| Subcellular localization | Mitochondria | 0.4947 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.8981 |
| CYP450 2D6 Substrate | Non-substrate | 0.7754 |
| CYP450 3A4 Substrate | Substrate | 0.6075 |
| CYP450 1A2 Inhibitor | Non-inhibitor | 0.7044 |
| CYP450 2C9 Inhibitor | Non-inhibitor | 0.8906 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.8324 |
| CYP450 2C19 Inhibitor | Non-inhibitor | 0.8577 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.7837 |
| CYP Inhibitory Promiscuity | Low CYP Inhibitory Promiscuity | 0.9340 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.8052 |
| Non-inhibitor | 0.8405 | |
| AMES Toxicity | AMES toxic | 0.5256 |
| Carcinogens | Carcinogens | 0.5397 |
| Fish Toxicity | High FHMT | 0.8926 |
| Tetrahymena Pyriformis Toxicity | Low TPT | 0.6165 |
| Honey Bee Toxicity | High HBT | 0.6027 |
| Biodegradation | Ready biodegradable | 0.9367 |
| Acute Oral Toxicity | III | 0.6436 |
| Carcinogenicity (Three-class) | Non-required | 0.5755 |
From admetSAR
ADMET Predicted Profile --- Regression
| Model | Value | Unit |
|---|---|---|
| Absorption | ||
| Aqueous solubility | -1.4748 | LogS |
| Caco-2 Permeability | 0.9191 | LogPapp, cm/s |
| Distribution | ||
| Metabolism | ||
| Excretion | ||
| Toxicity | ||
| Rat Acute Toxicity | 1.9449 | LD50, mol/kg |
| Fish Toxicity | 1.1819 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | -0.1133 | pIGC50, ug/L |
From admetSAR