Acid orange 12
PubChem CID
135465070
Structure
Molecular Formula
Synonyms
- Crocein Orange G
- Acid orange 12
- 1934-20-9
- Ponceau 4G
- Croceine Orange
Molecular Weight
350.3 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Parent Compound
Component Compounds
Dates
- Create:2019-01-15
- Modify:2024-12-28
Chemical Structure Depiction
3D Conformer of Parent
sodium;6-hydroxy-5-phenyldiazenylnaphthalene-2-sulfonate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C16H12N2O4S.Na/c19-15-9-6-11-10-13(23(20,21)22)7-8-14(11)16(15)18-17-12-4-2-1-3-5-12;/h1-10,19H,(H,20,21,22);/q;+1/p-1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
YOCIQNIEQYCORH-UHFFFAOYSA-M
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1=CC=C(C=C1)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])O.[Na+]
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)
C16H11N2NaO4S
Computed by PubChem 2.2 (PubChem release 2021.10.14)
1934-20-9
crocein orange G
- Crocein Orange G
- Acid orange 12
- 1934-20-9
- Ponceau 4G
- Croceine Orange
- Crocein Orange
- Acilan Orange G
- C.I. Food Orange 1
- Orange RN
- Orange LZS
- C.I. ACID ORANGE 12
- Kiton Brilliant Orange G
- Croceine Orange Y
- Monolite Orange C
- Helio Orange CAG
- Acidine Orange GN
- Hexacol Orange RN
- Kiton Ponceau 4G
- Siloton Orange GR
- Acidorange12dye
- Brilliant Orange G
- Croceine Orange EN
- Hispacid Orange CG
- Brilliant Orange GN
- Croceine Orange 2G
- Lutetia Orange 2JR
- Orange G Food Grade
- Acilan Ponceau 4GBL
- Food Orange No. 1
- 2-Naphthalenesulfonic acid, 6-hydroxy-5-(phenylazo)-, monosodium salt
- Acid Bright Orange Zh
- 1008 Orange
- Amacid Brilliant Orange
- Segnale Light Orange GR
- Acid Brilliant Orange Zh
- Brilliant Orange
- MFCD00003912
- sodium (E)-6-hydroxy-5-(phenyldiazenyl)naphthalene-2-sulfonate
- Tertracid Brilliant Orange P4G
- Brilliant Orange GN type 8019
- 1-Phenylazo-2-naphthol-6-sulphonic acid monosodium salt
- 6-Hydroxy-5-(phenylazo)-2-naphthalenesulfonic acid, sodium salt
- I3D360R468
- sodium;6-hydroxy-5-phenyldiazenylnaphthalene-2-sulfonate
- C.I. 15970
- C.I. ACID ORANGE 12, MONOSODIUM SALT
- sodium 6-hydroxy-5-[(1E)-2-phenyldiazen-1-yl]naphthalene-2-sulfonate
- 2-Naphthalenesulfonic acid, 6-hydroxy-5-(2-phenyldiazenyl)-, sodium salt (1:1)
- Sodium 6-hydroxy-5-(phenyldiazenyl)naphthalene-2-sulfonate
- NSC-7831
- CCRIS 7443
- NSC 7831
- EINECS 217-697-4
- UNII-I3D360R468
- Sodium 6-hydroxy-5-phenylazo-2-naphthalenesulphonate
- SCHEMBL755171
- SCHEMBL2865909
- SCHEMBL9343017
- CHEMBL2028361
- DTXSID9062069
- MWRMYQCXIXUBGJ-FTUZMNKQSA-M
- AKOS015889969
- AKOS024319597
- HY-W145129
- CI 15970
- CS-0213841
- NS00045018
- D89333
- J-012523
- Q27280314
- SODIUM 1-(PHENYLAZO)-2-NAPHTHOL-6-SULFONATE
- sodium 6-hydroxy-5-[(E)-phenyldiazenyl]-2-naphthalenesulfonate
- 6-hydroxy-5-(phenylazo)-2-naphthalenesulfonic acid monosodium salt
- sodium 6-oxo-5-(2-phenylhydrazin-1-ylidene)naphthalene-2-sulfonate
- 2-Naphthalenesulfonicacid,6-hydroxy-5-(2-phenyldiazenyl)-,sodium salt(1:1)
- SODIUM (5Z)-6-OXO-5-(2-PHENYLHYDRAZIN-1-YLIDENE)NAPHTHALENE-2-SULFONATE
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
350.3 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
350.03372229 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
350.03372229 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
111Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
24
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
531
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
2
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
JECFA Functional Classes
Food Additives -> COLOUR;
Chemical Name
ORANGE RN
Evaluation Year
1977
ADI
NO ADI ALLOCATED
Comments
The colour is little used and it is understood its use will be discontinued
Report
Tox Monograph
Food Additives -> COLOUR; -> JECFA Functional Classes
EPA TSCA Commercial Activity Status
2-Naphthalenesulfonic acid, 6-hydroxy-5-(2-phenyldiazenyl)-, sodium salt (1:1): ACTIVE
The Australian Inventory of Industrial Chemicals
Chemical: 2-Naphthalenesulfonic acid, 6-hydroxy-5-(phenylazo)-, monosodium salt
New Zealand EPA Inventory of Chemical Status
2-Naphthalenesulfonic acid, 6-hydroxy-5-(phenylazo)-, monosodium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=YOCIQNIEQYCORH-UHFFFAOYSA-M
- Australian Industrial Chemicals Introduction Scheme (AICIS)2-Naphthalenesulfonic acid, 6-hydroxy-5-(phenylazo)-, monosodium salthttps://services.industrialchemicals.gov.au/search-inventory/
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA Chemicals under the TSCA2-Naphthalenesulfonic acid, 6-hydroxy-5-(2-phenyldiazenyl)-, sodium salt (1:1)https://www.epa.gov/chemicals-under-tscaEPA TSCA Classificationhttps://www.epa.gov/tsca-inventory
- EPA DSSToxAcid orange 12https://comptox.epa.gov/dashboard/DTXSID9062069CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-noticeSodium 6-hydroxy-5-phenylazo-2-naphthalenesulphonatehttps://echa.europa.eu/substance-information/-/substanceinfo/100.016.090
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking
- New Zealand Environmental Protection Authority (EPA)LICENSEThis work is licensed under the Creative Commons Attribution-ShareAlike 4.0 International licence.https://www.epa.govt.nz/about-this-site/general-copyright-statement/2-Naphthalenesulfonic acid, 6-hydroxy-5-(phenylazo)-, monosodium salthttps://www.epa.govt.nz/industry-areas/hazardous-substances/guidance-for-importers-and-manufacturers/hazardous-substances-databases/
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- Japan Chemical Substance Dictionary (Nikkaji)
- Joint FAO/WHO Expert Committee on Food Additives (JECFA)LICENSEPermission from WHO is not required for the use of WHO materials issued under the Creative Commons Attribution-NonCommercial-ShareAlike 3.0 Intergovernmental Organization (CC BY-NC-SA 3.0 IGO) licence.https://www.who.int/about/policies/publishing/copyright
- Springer Nature
- WikidataAcid orange 12https://www.wikidata.org/wiki/Q126674281
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmlcrocein orange Ghttps://www.ncbi.nlm.nih.gov/mesh/2013395
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- EPA Substance Registry ServicesEPA SRS List Classificationhttps://sor.epa.gov/sor_internet/registry/substreg/LandingPage.do
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 388944043https://pubchem.ncbi.nlm.nih.gov/substance/388944043
CONTENTS