Vegetable carbon
Relevant Data
Food Additives Approved by WHO:
General Information
| Chemical name | Vegetable carbon |
| E No. | E 153 |
| INS. | 153 |
| CAS number | 7440-44-0; 1333-86-4 (CARBON BLACK) |
| Group | No |
| Component of the group |
Group II, Food colours authorised at quantum satis (Group II) |
From webgate.ec.europa.eu
Authorisation of the use of this additive in Food Additives
The additive is authorised to be used in the following category(ies):
| category(ies) | Individual restriction(s)/exception(s) | footnote |
|---|---|---|
|
|
|
|
|
|
|
|
|
From webgate.ec.europa.eu
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 5462310 |
| IUPAC Name | carbon |
| InChI | InChI=1S/C |
| InChI Key | OKTJSMMVPCPJKN-UHFFFAOYSA-N |
| Canonical SMILES | [C] |
| Molecular Formula | C |
| Wikipedia | Atomic carbon |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 12.011 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Complexity | 0.0 |
| CACTVS Substructure Key Fingerprint | A A A D c Q 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 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 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 A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 0.0 |
| Monoisotopic Mass | 12.0 |
| Exact Mass | 12.0 |
| XLogP3 | None |
| XLogP3-AA | 0.6 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 1 |
| 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
ADMET Predicted Profile --- Classification
| Model | Result | Probability |
|---|---|---|
| Absorption | ||
| Blood-Brain Barrier | BBB+ | 0.9756 |
| Human Intestinal Absorption | HIA+ | 0.9838 |
| Caco-2 Permeability | Caco2+ | 0.7687 |
| P-glycoprotein Substrate | Non-substrate | 0.8815 |
| P-glycoprotein Inhibitor | Non-inhibitor | 0.9808 |
| Non-inhibitor | 0.9860 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.9111 |
| Distribution | ||
| Subcellular localization | Lysosome | 0.5904 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.8466 |
| CYP450 2D6 Substrate | Non-substrate | 0.8294 |
| CYP450 3A4 Substrate | Non-substrate | 0.8231 |
| CYP450 1A2 Inhibitor | Non-inhibitor | 0.9010 |
| CYP450 2C9 Inhibitor | Non-inhibitor | 0.9515 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.9770 |
| CYP450 2C19 Inhibitor | Non-inhibitor | 0.9688 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.9895 |
| CYP Inhibitory Promiscuity | Low CYP Inhibitory Promiscuity | 0.8864 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.9547 |
| Non-inhibitor | 0.9766 | |
| AMES Toxicity | Non AMES toxic | 0.9757 |
| Carcinogens | Carcinogens | 0.6775 |
| Fish Toxicity | Low FHMT | 0.6187 |
| Tetrahymena Pyriformis Toxicity | Low TPT | 0.6893 |
| Honey Bee Toxicity | High HBT | 0.8392 |
| Biodegradation | Ready biodegradable | 0.7343 |
| Acute Oral Toxicity | III | 0.5824 |
| Carcinogenicity (Three-class) | Warning | 0.4936 |
From admetSAR
ADMET Predicted Profile --- Regression
| Model | Value | Unit |
|---|---|---|
| Absorption | ||
| Aqueous solubility | -0.9500 | LogS |
| Caco-2 Permeability | 1.6374 | LogPapp, cm/s |
| Distribution | ||
| Metabolism | ||
| Excretion | ||
| Toxicity | ||
| Rat Acute Toxicity | 1.9304 | LD50, mol/kg |
| Fish Toxicity | 1.5562 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | -0.7997 | pIGC50, ug/L |
From admetSAR
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Not available |
| Class | Not available |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Organic compounds |
| Alternative Parents |
|
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Organic compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as organic compounds. These are compounds that contain at least one carbon atom, excluding isocyanide/cyanide and their non-hydrocarbyl derivatives, thiophosgene, carbon diselenide, carbon monosulfide, carbon disulfide, carbon subsulfide, carbon monoxide, carbon trioxide, carbon suboxide, and dicarbon monoxide. |
From ClassyFire