Mono-and diglycerides of fatty acids

Relevant Data

Food Additives Approved by WHO:

General Information

Chemical nameMono-and diglycerides of fatty acids
E No.E 471
INS.471
CAS number68953-43-5
GroupNo
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 pasteurised cream (excluding reduced fat creams) (1.6.1)(legislation:1129/2011, applicable as from 01/06/2013)

  • 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)

  • Extra jam and extra jelly as defined by Directive 2001/113/EC (4.2.5.1)(legislation:1129/2011, applicable as from 01/06/2013)

  • 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)

  • Cocoa and Chocolate products as covered by Directive 2000/36/EC (5.1)(legislation:1129/2011, applicable as from 01/06/2013)

  • Fresh pasta (6.4.1)(legislation:1129/2011, applicable as from 01/06/2013)

  • Fresh pre-cooked pasta (6.4.3)(legislation:1129/2011, applicable as from 01/06/2013)

  • Bread prepared solely with the following ingredients: wheat flour, water, yeast or leaven,salt (7.1.1)(legislation:1129/2011, applicable as from 01/06/2013)

  • Pain courant francais; Friss búzakenyér, fehér és félbarna kenyerek (7.1.2)(legislation:1129/2011, applicable as from 01/06/2013)

  • Table-Top Sweeteners in tablets (11.4.3)(legislation:1129/2011, applicable as from 01/06/2013)
  • quantum satis
  • Fats and oils essentially free from water (excluding anhydrous milkfat) (2.1)(legislation:1129/2011, applicable as from 01/06/2013)
  • ML = 10000 mg/kg , except virgin oils and olive oils
  • Pre-cooked or processed cereals (6.7)(legislation:1129/2011, applicable as from 01/06/2013)
  • quantum satis , only quick-cook rice
  • Infant formulae as defined by Directive 2006/141/EC (13.1.1)(legislation:1129/2011, applicable as from 01/06/2013)

  • Follow-on formulae as defined by Directive 2006/141/EC (13.1.2)(legislation:1129/2011, applicable as from 01/06/2013)

  • Other foods for young children (13.1.4)(legislation:1129/2011, applicable as from 01/06/2013)
  • ML = 4000 mg/kg
  • 14 If more than one of the substances E 322, E 471, E 472c and E 473 are added to a foodstuff, the maximum level established for that foodstuff for each of those substances is lowered with that relative part as is present of the other substances together in that foodstuff
  • 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 = 5000 mg/kg , only biscuits and rusks, cereal-based foods, baby foods
  • 22 E 471, E 472a, E 472b and E 472c are authorised individually or in combination
  • Potato gnocchi (6.4.4)(legislation: 2015/647, applicable as from 24/02/2015)
  • quantum satis , only fresh refrigerated potato gnocchi
  • 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 = 5000 mg/kg , from birth onwards in specialised diets, particularly those devoid of proteins

From webgate.ec.europa.eu

Computed Descriptors

Download SDF
2D Structure
CID92024228
IUPAC Name2-[5-[carboxy(hydroxy)methyl]-3,6-dioxo-1,4-dioxan-2-yl]-2-hydroxyacetic acid
InChIInChI=1S/C8H8O10/c9-1(5(11)12)3-7(15)18-4(8(16)17-3)2(10)6(13)14/h1-4,9-10H,(H,11,12)(H,13,14)
InChI KeyKWBYTEOPKORPPY-UHFFFAOYSA-N
Canonical SMILESC1(C(=O)OC(C(=O)O1)C(C(=O)O)O)C(C(=O)O)O
Molecular FormulaC4H6O6

From Pubchem

Computed Properties

Property Name Property Value
Molecular Weight264.142
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Complexity363.0
CACTVS Substructure Key Fingerprint A A A D c c B w P 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 k A A A A A A A A A A A A A A A A G g A A C A A A C B S g g A I A C A A A B g A I A A C Q C A I A A A A A A A A A A A F A A A A B E B Q A A A Q C Q A A F I A A D A A B D 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 Area168.0
Monoisotopic Mass264.012
Exact Mass264.012
XLogP3None
XLogP3-AA-1.1
Compound Is CanonicalizedTrue
Formal Charge0
Heavy Atom Count18
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count1

From Pubchem

ADMET Predicted Profile --- Classification

Model Result Probability
Absorption
Blood-Brain BarrierBBB+0.7035
Human Intestinal AbsorptionHIA-0.5770
Caco-2 PermeabilityCaco2-0.7613
P-glycoprotein SubstrateNon-substrate0.6829
P-glycoprotein InhibitorNon-inhibitor0.9398
Non-inhibitor0.9842
Renal Organic Cation TransporterNon-inhibitor0.9403
Distribution
Subcellular localizationMitochondria0.7919
Metabolism
CYP450 2C9 SubstrateNon-substrate0.8777
CYP450 2D6 SubstrateNon-substrate0.9053
CYP450 3A4 SubstrateNon-substrate0.7679
CYP450 1A2 InhibitorNon-inhibitor0.9780
CYP450 2C9 InhibitorNon-inhibitor0.9574
CYP450 2D6 InhibitorNon-inhibitor0.9661
CYP450 2C19 InhibitorNon-inhibitor0.9587
CYP450 3A4 InhibitorNon-inhibitor0.9480
CYP Inhibitory PromiscuityLow CYP Inhibitory Promiscuity0.9935
Excretion
Toxicity
Human Ether-a-go-go-Related Gene InhibitionWeak inhibitor0.9814
Non-inhibitor0.9810
AMES ToxicityNon AMES toxic0.9618
CarcinogensNon-carcinogens0.9398
Fish ToxicityLow FHMT0.5824
Tetrahymena Pyriformis ToxicityLow TPT0.6508
Honey Bee ToxicityHigh HBT0.5950
BiodegradationReady biodegradable0.5788
Acute Oral ToxicityIII0.4212
Carcinogenicity (Three-class)Non-required0.7554

From admetSAR

ADMET Predicted Profile --- Regression

Model Value Unit
Absorption
Aqueous solubility-0.3362LogS
Caco-2 Permeability-0.0792LogPapp, cm/s
Distribution
Metabolism
Excretion
Toxicity
Rat Acute Toxicity1.7497LD50, mol/kg
Fish Toxicity2.0922pLC50, mg/L
Tetrahymena Pyriformis Toxicity-0.9626pIGC50, ug/L

From admetSAR

Taxonomic Classification

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
SubclassTetracarboxylic acids and derivatives
Intermediate Tree NodesNot available
Direct ParentTetracarboxylic acids and derivatives
Alternative Parents
Molecular FrameworkAliphatic heteromonocyclic compounds
SubstituentsTetracarboxylic acid or derivatives - Para-dioxane - Alpha-hydroxy acid - Hydroxy acid - Carboxylic acid ester - Lactone - Secondary alcohol - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Alcohol - Organooxygen compound - Aliphatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.

From ClassyFire