Xanthan gum

Relevant Data

Food Additives Approved in the United States

XANTHAN GUM [show][hide]

Mainterm XANTHAN GUM

Doc Type ASP

CAS number 11138-66-2

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Food Additives Approved by WHO:

XANTHAN GUM [show]

General Information

Chemical name	Xanthan gum
E No.	E 415
INS.	415
CAS number	11138-66-2
Group	No
Component of the group	Group I, Additives (Group I)

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
Unflavoured live fermented cream products and substitute products with a fat content of less than 20% (1.6.2)(legislation:1129/2011, applicable as from 01/06/2013) Table-Top Sweeteners in liquid form (11.4.1)(legislation:1129/2011, applicable as from 01/06/2013) Table-Top Sweeteners in powder form (11.4.2)(legislation:1129/2011, applicable as from 01/06/2013)	quantum satis
Canned or bottled fruit and vegetables (4.2.3)(legislation:1129/2011, applicable as from 01/06/2013)	quantum satis , only chestnuts in liquid
Jam, jellies and marmalades and sweetened chestnut puree as defined by Directive 2001/113/EC (4.2.5.2)(legislation:1129/2011, applicable as from 01/06/2013) Other similar fruit or vegetable spreads (4.2.5.3)(legislation:1129/2011, applicable as from 01/06/2013)	ML = 10000 mg/kg	32 Maximum individually or in combination with E 400 - 404, E 406, E 407, E 410, E 412, E 415 and E 418
Processed cereal-based foods and baby foods for infants and young children as defined by Directive 2006/125/EC (13.1.3)(legislation:1129/2011, applicable as from 01/06/2013)	ML = 10000 mg/kg , only processed cereal based foods and baby foods ML = 20000 mg/kg , only gluten-free cereal-based foods	21 E 410, E 412, E 414, E 415 and E 440 are authorised individually or in combination
Other foods for young children (13.1.4)(legislation:1129/2011, applicable as from 01/06/2013)	ML = 10000 mg/kg	21 E 410, E 412, E 414, E 415 and E 440 are authorised individually or in combination
Dietary foods for infants for special medical purposes and special formulae for infants (13.1.5.1)(legislation:1129/2011, applicable as from 01/06/2013) Dietary foods for babies and young children for special medical purposes as defined in Directive 1999/21/EC (13.1.5.2)(legislation:1129/2011, applicable as from 01/06/2013)	ML = 1200 mg/kg , From birth onwards for use in products based on amino acids or peptides for use with patients who have problems with impairment of the gastrointestinal tract, protein mal-absorption or inborn errors of metabolism
Meat preparations as defined by Regulation (EC) No 853/2004 (8.2)(legislation:601/2014, applicable as from 25/06/2014)	quantum satis , only preparations in which ingredients have been injected; meat preparations composed of meat parts that have been handled differently: minced, sliced or processed and that are combined together. Except bifteki, soutzoukaki, kebap, gyros and souvlaki

From webgate.ec.europa.eu

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
P-glycoprotein Inhibitor	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
Human Ether-a-go-go-Related Gene Inhibition	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	Organopnictogen compounds Alkyl aryl ethers Hydrochlorides Aniline and substituted anilines Primary alcohols Hydrocarbon derivatives Phenoxy compounds Primary amines
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

CAS number:	11138-66-2
INS:	415
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