Erythorbic acid

Relevant Data

Food Additives Approved in the United States

Food Additives Approved by WHO:

General Information

Chemical nameErythorbic acid
E No.E 315
INS.315
CAS number89-65-6
GroupNo

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
  • Heat-treated processed meat (8.3.2)(legislation:1129/2011, applicable as from 01/06/2013)
  • ML = 500 mg/kg , only cured meat products and preserved meat products
  • 9 E 315 and E 316 are authorised individually or in combination, maximum limit is expressed as erythorbic acid
  • Unprocessed fish (9.1.1)(legislation:1129/2011, applicable as from 01/06/2013)
  • ML = 1500 mg/kg , only frozen and deep-frozen fish with red skin
  • 9 E 315 and E 316 are authorised individually or in combination, maximum limit is expressed as erythorbic acid
  • Processed fish and fisheries products including molluscs and crustaceans (9.2)(legislation:1129/2011, applicable as from 01/06/2013)

  • Fish roe (9.3)(legislation:1129/2011, applicable as from 01/06/2013)
  • ML = 1500 mg/kg , only preserved and semi-preserved fish products
  • 9 E 315 and E 316 are authorised individually or in combination, maximum limit is expressed as erythorbic acid
  • Non-heat-treated processed meat (8.3.1)(legislation: 2015/647, applicable as from 24/02/2015)
  • ML = 500 mg/kg , only cured products and preserved products
  • 9 E 315 and E 316 are authorised individually or in combination, maximum limit is expressed as erythorbic acid

From webgate.ec.europa.eu

Computed Descriptors

Download SDF
2D Structure
CID54675810
IUPAC Name(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
InChIInChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5-/m1/s1
InChI KeyCIWBSHSKHKDKBQ-DUZGATOHSA-N
Canonical SMILESC(C(C1C(=C(C(=O)O1)O)O)O)O
Molecular FormulaC6H8O6
Wikipediaerythorbic acid

From Pubchem

Computed Properties

Property Name Property Value
Molecular Weight176.124
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Complexity232.0
CACTVS Substructure Key Fingerprint A A A D c c B g O A A A A A A A A A A A A A A A A A A A A Q A A A A A A 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 C I A A D Q C A I A A A A g I A A A C A B A A E g B F A A A I A A C U A A F w A A L I Q J 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 Area107.0
Monoisotopic Mass176.032
Exact Mass176.032
Compound Is CanonicalizedTrue
Formal Charge0
Heavy Atom Count12
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count1

From Pubchem

Food Additives Biosynthesis/Degradation

ADMET Predicted Profile --- Classification

Model Result Probability
Absorption
Blood-Brain BarrierBBB+0.8532
Human Intestinal AbsorptionHIA+0.6559
Caco-2 PermeabilityCaco2-0.7710
P-glycoprotein SubstrateNon-substrate0.6077
P-glycoprotein InhibitorNon-inhibitor0.9097
Non-inhibitor0.9807
Renal Organic Cation TransporterNon-inhibitor0.9008
Distribution
Subcellular localizationMitochondria0.6194
Metabolism
CYP450 2C9 SubstrateNon-substrate0.8133
CYP450 2D6 SubstrateNon-substrate0.8696
CYP450 3A4 SubstrateNon-substrate0.6361
CYP450 1A2 InhibitorNon-inhibitor0.8958
CYP450 2C9 InhibitorNon-inhibitor0.9478
CYP450 2D6 InhibitorNon-inhibitor0.9347
CYP450 2C19 InhibitorNon-inhibitor0.9383
CYP450 3A4 InhibitorNon-inhibitor0.9662
CYP Inhibitory PromiscuityLow CYP Inhibitory Promiscuity0.9249
Excretion
Toxicity
Human Ether-a-go-go-Related Gene InhibitionWeak inhibitor0.9676
Non-inhibitor0.9286
AMES ToxicityNon AMES toxic0.8941
CarcinogensNon-carcinogens0.9417
Fish ToxicityLow FHMT0.5982
Tetrahymena Pyriformis ToxicityHigh TPT0.5093
Honey Bee ToxicityHigh HBT0.7536
BiodegradationReady biodegradable0.9526
Acute Oral ToxicityIV0.5871
Carcinogenicity (Three-class)Non-required0.7591

From admetSAR

ADMET Predicted Profile --- Regression

Model Value Unit
Absorption
Aqueous solubility0.1081LogS
Caco-2 Permeability-0.3148LogPapp, cm/s
Distribution
Metabolism
Excretion
Toxicity
Rat Acute Toxicity1.3059LD50, mol/kg
Fish Toxicity1.5598pLC50, mg/L
Tetrahymena Pyriformis Toxicity-0.6529pIGC50, ug/L

From admetSAR

Taxonomic Classification

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassDihydrofurans
SubclassFuranones
Intermediate Tree NodesNot available
Direct ParentButenolides
Alternative Parents
Molecular FrameworkAliphatic heteromonocyclic compounds
Substituents2-furanone - Vinylogous acid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - 1,2-diol - Carboxylic acid ester - Enediol - Secondary alcohol - Lactone - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Primary alcohol - Organooxygen compound - Aliphatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom.

From ClassyFire