XANTHAN GUM
Relevant Data
Food Additives Approved in the United States
Food Additives Approved by European Union:
General Information
| CAS number: | 11138-66-2 |
| INS: | 415 |
| Functional Class: |
Food Additives EMULSIFIER STABILIZER THICKENER FOAMING_AGENT |
From apps.who.int
Evaluations
| Evaluation year: | 2016 |
| ADI: | NOT SPECIFIED |
| Meeting: | 82 |
| Specs Code: | R |
| Comments: | A NOAEL of 750 mg/kg bw per day was established for xanthan gum in neonatal pigs, which are an appropriate animal model for the assessment of the safety of the additive for infants. The margin of exposure based on this NOAEL and the conservative estimate of xanthan gum intake of 220 mg/kg bw per day by infants (high energy requirements for fully formula-fed infants) is 3.4. On the basis of a number of considerations, the Committee concluded that the consumption of xanthan gum in infant formula or formula for special medical purposes intended for infants is of no safety concern at the maximum proposed use level of 1000 mg/L. |
| Report: | TRS 1000-JECFA 82/72 |
| Specification: | FAO JECFA Monographs 19/116 |
From apps.who.int
GSFA Provisions for XANTHAN GUM
| Number | Food Category | Max Level | Notes |
|---|---|---|---|
| 14.1.5 | Coffee, coffee substitutes, tea, herbal infusions, and other hot cereal and grain beverages, excluding cocoa |
GMP | Note 160 |
| 13.2 | Complementary foods for infants and young children |
10,000 mg/kg | Note 239,Note 273 |
| 09.2.4.1 | Cooked fish and fish products |
GMP | Note 327,Note 241 |
| 06.4.2 | Dried pastas and noodles and like products |
GMP | Note 256 |
| 01.2.1.2 | Fermented milks (plain), heat-treated after fermentation |
GMP | Note 234 |
| 01.2.1.1 | Fermented milks (plain), not heat-treated after fermentation |
GMP | Note 234,Note 235 |
| 08.1.2 | Fresh meat, poultry, and game, comminuted |
GMP | Note 281 |
| 08.1.1 | Fresh meat, poultry, and game, whole pieces or cuts |
GMP | Note 326,Note 16 |
| 06.4.1 | Fresh pastas and noodles and like products |
GMP | Note 211 |
| 09.2.4.3 | Fried fish and fish products, including mollusks, crustaceans, and echinoderms |
GMP | Note 41 |
| 09.2.2 | Frozen battered fish, fish fillets, and fish products, including mollusks, crustaceans, and echinoderms |
GMP | Note 177 |
| 09.2.1 | Frozen fish, fish fillets, and fish products, including mollusks, crustaceans, and echinoderms |
GMP | Note XS191,Note XS92,Note 391,Note XS312,Note XS292,Note XS190,Note XS95,Note XS36,Note XS315 |
| 11.4 | Other sugars and syrups (e.g. xylose, maple syrup, sugar toppings) |
GMP | Note 258 |
| 01.4.1 | Pasteurized cream (plain) |
GMP | Note 236 |
| 09.2.5 | Smoked, dried, fermented, and/or salted fish and fish products, including mollusks, crustaceans, and echinoderms |
GMP | Note 300 |
From www.fao.org
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 47932 |
| IUPAC Name | 2-(2,4-diaminophenoxy)ethanol;dihydrochloride |
| InChI | InChI=1S/C8H12N2O2.2ClH/c9-6-1-2-8(7(10)5-6)12-4-3-11;;/h1-2,5,11H,3-4,9-10H2;2*1H |
| InChI Key | VXYWXJXCQSDNHX-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC(=C(C=C1N)N)OCCO.Cl.Cl |
| Molecular Formula | C8H14Cl2N2O2 |
| Wikipedia | 2,4-diaminophenoxyethanol hydrochloride |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 241.112 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Complexity | 132.0 |
| CACTVS Substructure Key Fingerprint | A A A D c c B z M A A G A A A A A A A A A A A A A A A A A A A A A A A w A A A A A A A A A A A B A A A A H g A Q C A A A C A y h k A I w x o B A B g C A A C R C Q A C C C A A g I g A I i A A H b I g P N i K E 8 d u D O C D k 0 B E L 6 A e w Q A A A A E A A A A Q A E A A A g A A A C A A g A A A A A A A A A A = = |
| Topological Polar Surface Area | 81.5 |
| Monoisotopic Mass | 240.043 |
| Exact Mass | 240.043 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| 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+ | 0.5619 |
| Human Intestinal Absorption | HIA+ | 0.9023 |
| Caco-2 Permeability | Caco2- | 0.5698 |
| P-glycoprotein Substrate | Non-substrate | 0.7041 |
| P-glycoprotein Inhibitor | Non-inhibitor | 0.8114 |
| Inhibitor | 0.6069 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.8356 |
| Distribution | ||
| Subcellular localization | Nucleus | 0.4581 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.7342 |
| CYP450 2D6 Substrate | Non-substrate | 0.7700 |
| CYP450 3A4 Substrate | Non-substrate | 0.6695 |
| CYP450 1A2 Inhibitor | Inhibitor | 0.6587 |
| CYP450 2C9 Inhibitor | Non-inhibitor | 0.7474 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.8577 |
| CYP450 2C19 Inhibitor | Non-inhibitor | 0.5897 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.8096 |
| CYP Inhibitory Promiscuity | High CYP Inhibitory Promiscuity | 0.5000 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.9102 |
| Non-inhibitor | 0.7199 | |
| AMES Toxicity | AMES toxic | 0.7248 |
| Carcinogens | Non-carcinogens | 0.7828 |
| Fish Toxicity | Low FHMT | 0.8483 |
| Tetrahymena Pyriformis Toxicity | High TPT | 0.6876 |
| Honey Bee Toxicity | Low HBT | 0.7460 |
| Biodegradation | Not ready biodegradable | 0.9314 |
| Acute Oral Toxicity | III | 0.7238 |
| Carcinogenicity (Three-class) | Non-required | 0.6551 |
From admetSAR
ADMET Predicted Profile --- Regression
| Model | Value | Unit |
|---|---|---|
| Absorption | ||
| Aqueous solubility | -1.9693 | LogS |
| Caco-2 Permeability | 0.9018 | LogPapp, cm/s |
| Distribution | ||
| Metabolism | ||
| Excretion | ||
| Toxicity | ||
| Rat Acute Toxicity | 2.2317 | LD50, mol/kg |
| Fish Toxicity | 1.5545 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | -0.0159 | pIGC50, ug/L |
From admetSAR
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenol ethers |
| Subclass | Aminophenyl ethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aminophenyl ethers |
| Alternative Parents | |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aminophenyl ether - Phenoxy compound - Aniline or substituted anilines - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Alcohol - Hydrocarbon derivative - Hydrochloride - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the benzene ring. |
From ClassyFire