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Showing Compound Erythrosine (FDB000892)

Record Information
Version1.0
Creation date2010-04-08 22:04:45 UTC
Update date2018-05-28 23:03:51 UTC
Primary IDFDB000892
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameErythrosine
DescriptionDye used in food and feed additives. Prohibited in U.S.A. and Norway [DFC] Erythrosine, also known as Red No. 3, is a cherry-pink synthetic fluorone food coloring. It is the disodium salt of 2,4,5,7-tetraiodofluorescein. Erythrosine is commonly used in sweets such as some candies and popsicles, and even more widely used in cake-decorating gels. While commonly used in many countries of the world, erythrosine is less commonly used in the United States because Allura Red AC (Red #40) is generally used instead. However, Allura Red AC is banned in many European countries solely because it is an azo dye, despite scientific consensus of Red 40 having fewer known health risks. [Wikipedia].
CAS Number15905-32-5
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
e127ChEMBL, HMDB
2',4',5',7'-TetraiodofluoresceinHMDB, MeSH
2, 4,5,7-TetraiodofluoresceinHMDB
2,4,5,7-ErythrosinHMDB
2,4,5,7-TetraiodofluoresceinHMDB
3',6'-Dihydroxy-2',4',5',7'-tetraiodospiro[isobenzofuran-1(3H),9'(9H)-xanthen]-3-one, 9ciHMDB
Aizen erythrosineHMDB
C.I. 45430HMDB
C.I. acid red 51HMDB
C.I. FOOD red 14HMDB
CeplacHMDB
Cogilor orange 211.10HMDB
Cogilor orange 312.42HMDB
Dianthine bHMDB
Erythrosine acidHMDB
Erythrosine, phenolicHMDB
FD And C red no. 3HMDB, MeSH
FeluminHMDB
FOOD Red no. 3HMDB
IodeosinHMDB
Iodeosine bHMDB
IodofluoresceinHMDB
Pyrosine bHMDB
Red 1427HMDB
TetraiodofluoresceinHMDB
TraceHMDB
ErythrosinMeSH
FDC Red no. 3MeSH
Erythrosin bMeSH
ErythrosineMeSH
Erythrosine bMeSH
F D And C #3MeSH
3',6'-Dihydroxy-2',4',5',7'-tetraiodospiro[isobenzofuran-1(3H),9'(9H)-xanthen]-3-one, 9CIdb_source
C.I. Acid red 51db_source
C.I. Food red 14db_source
Dianthine Bdb_source
E127db_source
FD and C Red No. 3db_source
Fd&c red no. 3manual
Food red no. 3db_source
Iodeosine Bdb_source
Pyrosine Bdb_source
Predicted PropertiesNot Available
Chemical FormulaC20H8I4O5
IUPAC name
InChI IdentifierInChI=1S/C20H8I4O5/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20/h1-6,25-26H
InChI KeyOALHHIHQOFIMEF-UHFFFAOYSA-N
Isomeric SMILESOC1=C(I)C2=C(C=C1I)C1(OC(=O)C3=C1C=CC=C3)C1=CC(I)=C(O)C(I)=C1O2
Average Molecular Weight835.8924
Monoisotopic Molecular Weight835.655047046
Classification
Description Belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassBenzopyrans
Sub Class1-benzopyrans
Direct ParentXanthenes
Alternative Parents
Substituents
  • Xanthene
  • Diaryl ether
  • Isobenzofuranone
  • Benzofuranone
  • Phthalide
  • Isocoumaran
  • Isobenzofuran
  • 2-iodophenol
  • Benzenoid
  • Aryl halide
  • Aryl iodide
  • Carboxylic acid ester
  • Lactone
  • Oxacycle
  • Carboxylic acid derivative
  • Ether
  • Monocarboxylic acid or derivatives
  • Organic oxygen compound
  • Organohalogen compound
  • Organoiodide
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Biological location:

Source:

Role

Industrial application:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 28.74%; H 0.96%; I 60.73%; O 9.57%DFC
Melting Point303 oC
Boiling PointNot Available
Experimental Water Solubility0.7 mg/mLGreen, FJ (1990)
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000i-0000000090-db6c3b87548730b3c5f32016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-000i-0000000190-52dee1d81ffe268585612016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0006-2000000910-58f48963afe8483582bb2016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-0000000190-36e9ffe18ea6cc29f2562016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-000x-0000000980-bbf5a758ae7ec213d3792016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-0000001900-38a92edd478b63e07a9e2016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-0000000090-37c0a7c5f4e85342478f2021-09-24View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-0000000290-f81eee42ad4afef0bb7e2021-09-24View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-1000000790-361d8c6c077b4db6cf442021-09-24View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000i-0000000090-713b6bce56a3d65c42702021-09-24View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-000i-0000000090-713b6bce56a3d65c42702021-09-24View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-05n3-0000004290-f7bf22833b064cd89b282021-09-24View Spectrum
NMRNot Available
ChemSpider ID3144
ChEMBL IDCHEMBL1332616
KEGG Compound IDNot Available
Pubchem Compound ID3259
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB29702
CRC / DFC (Dictionary of Food Compounds) IDBLR71-K:BLR71-K
EAFUS ID1349
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDErythrosine
Phenol-Explorer Metabolite IDNot Available
Duplicate IDS
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference