Record Information |
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Version | 2.0 |
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Creation Date | 2014-09-11 05:19:44 UTC |
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Update Date | 2014-12-24 20:26:58 UTC |
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Accession Number | T3D4862 |
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Identification |
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Common Name | Disodium 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonate |
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Class | Small Molecule |
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Description | Disodium 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonate is a food dye Disodium 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonate belongs to the family of Naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. |
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Compound Type | - Dye
- Food Additive
- Food Toxin
- Household Toxin
- Metabolite
- Organic Compound
- Synthetic Compound
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Chemical Structure | |
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Synonyms | Synonym | 1351 Yellow, disodium salt | 1899 Yellow, disodium salt | Acid Food Yellow 3, disodium salt | Alabaster No. 3, disodium salt | C.I. Food Yellow 3, disodium salt | Canacert sunset yellow FCF, disodium salt | Certicol sunset yellow CFS, disodium salt | Disodium 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid | Disodium 6-hydroxy-5-[(4-sulphophenyl)azo]-2-naphthalenesulfonate | Disodium 6-hydroxy-5-[(4-sulphophenyl)azo]-2-naphthalenesulfonic acid | FD and C Yellow No. 6, disodium salt | Food Yellow No. 5, disodium salt | HD sunset yellow FCF, disodium salt | Hexacol sunset yellow FCF, disodium salt | Maple sunset yellow FCF, disodium salt | Sun yellow, disodium salt | Sunset Yellow 6, disodium salt | Twilight yellow, disodium salt | Yellow No. 6, disodium salt |
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Chemical Formula | C16H12N2Na2O7S2 |
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Average Molecular Mass | 454.384 g/mol |
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Monoisotopic Mass | 453.987 g/mol |
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CAS Registry Number | 2783-94-0 |
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IUPAC Name | disodium 6-hydroxy-5-[(E)-2-(4-sulfophenyl)diazen-1-yl]naphthalene-2-sulfonic acid |
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Traditional Name | disodium 6-hydroxy-5-[(E)-2-(4-sulfophenyl)diazen-1-yl]naphthalene-2-sulfonic acid |
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SMILES | [Na+].[Na+].OC1=C(\N=N\C2=CC=C(C=C2)S(O)(=O)=O)C2=CC=C(C=C2C=C1)S(O)(=O)=O |
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InChI Identifier | InChI=1S/C16H12N2O7S2.2Na/c19-15-8-1-10-9-13(27(23,24)25)6-7-14(10)16(15)18-17-11-2-4-12(5-3-11)26(20,21)22;;/h1-9,19H,(H,20,21,22)(H,23,24,25);;/q;2*+1/b18-17+;; |
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InChI Key | InChIKey=OIQPTROHQCGFEF-QIKYXUGXSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Naphthalenes |
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Sub Class | Naphthalene sulfonic acids and derivatives |
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Direct Parent | 2-naphthalene sulfonates |
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Alternative Parents | |
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Substituents | - 2-naphthalene sulfonate
- 2-naphthalene sulfonic acid or derivatives
- 2-naphthol
- Benzenesulfonate
- Arylsulfonic acid or derivatives
- Benzenesulfonyl group
- 1-sulfo,2-unsubstituted aromatic compound
- 1-hydroxy-2-unsubstituted benzenoid
- Monocyclic benzene moiety
- Organic sulfonic acid or derivatives
- Organosulfonic acid or derivatives
- Organosulfonic acid
- Sulfonyl
- Azo compound
- Organic alkali metal salt
- Organic nitrogen compound
- Organic oxygen compound
- Organic salt
- Hydrocarbon derivative
- Organosulfur compound
- Organooxygen compound
- Organonitrogen compound
- Organic oxide
- Organopnictogen compound
- Organic cation
- Aromatic homopolycyclic compound
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Molecular Framework | Aromatic homopolycyclic compounds |
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External Descriptors | Not Available |
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Biological Properties |
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Status | Detected and Not Quantified |
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Origin | Exogenous |
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Cellular Locations | |
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Biofluid Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | Not Available |
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Applications | Not Available |
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Biological Roles | Not Available |
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Chemical Roles | Not Available |
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Physical Properties |
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State | Solid |
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Appearance | White powder. |
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Experimental Properties | Property | Value |
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Melting Point | 390 °C | Boiling Point | Not Available | Solubility | 190 mg/mL at 25 °C | LogP | Not Available |
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Predicted Properties | |
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Spectra |
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Spectra | Not Available |
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Toxicity Profile |
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Route of Exposure | Not Available |
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Mechanism of Toxicity | Not Available |
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Metabolism | Not Available |
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Toxicity Values | Not Available |
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Lethal Dose | Not Available |
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Carcinogenicity (IARC Classification) | 3, not classifiable as to its carcinogenicity to humans. (2) |
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Uses/Sources | Not Available |
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Minimum Risk Level | Not Available |
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Health Effects | Not Available |
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Symptoms | Not Available |
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Treatment | Not Available |
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Normal Concentrations |
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| Not Available |
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Abnormal Concentrations |
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| Not Available |
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External Links |
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DrugBank ID | Not Available |
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HMDB ID | HMDB30683 |
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PubChem Compound ID | Not Available |
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ChEMBL ID | Not Available |
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ChemSpider ID | Not Available |
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KEGG ID | Not Available |
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UniProt ID | Not Available |
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OMIM ID | |
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ChEBI ID | Not Available |
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BioCyc ID | Not Available |
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CTD ID | Not Available |
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Stitch ID | Not Available |
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PDB ID | Not Available |
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ACToR ID | Not Available |
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Wikipedia Link | Not Available |
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References |
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Synthesis Reference | Not Available |
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MSDS | Not Available |
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General References | - Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.
- International Agency for Research on Cancer (2014). IARC Monographs on the Evaluation of Carcinogenic Risks to Humans. [Link]
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Gene Regulation |
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Up-Regulated Genes | Not Available |
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Down-Regulated Genes | Not Available |
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