Ponceau Xylidine - analytical standard , CAS No.3761-53-3

CAS: 3761-53-3 Cat. No.: P396954 Peso molecular: 480.42 Beilstein Registry Number: 5709350 Número EC: 223-178-3

GRADE & PURITY Analytical standard

Synonyms

Acid Red 26|3761-53-3|Ponceau xylidine|PONCEAU MX|Ponceau 2R|Xylidine ponceau 2R|C.I. Acid Red 26|Ponceau de Xylidine|Xylidine Ponceau|Xylidine Red|Ponceau Red|Ponceau R|CI F Food Red 5|Ponceau Red R|Ponceau G|Brilliant ponceau G|C.I. 16150|Lake ponceau|P

Storage

Room temperature

Shipped In

Normal

Descripción general

General description：

Ponceau xylidine is a synthetic food additive dye widely used in foodstuffs to restore the natural food color and also to enhance food appeal.

application：

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Ponceau xylidine may be used as a reference standard for its determination in animal feed and meat using high performance liquid chromatography-diode array detection (HPLC-DAD) and tandem mass spectrometry (HPLC-MS/MS).

Specifications

Sinónimos

Acid Red 26 | 3761-53-3 | Ponceau xylidine | PONCEAU MX | Ponceau 2R | Xylidine ponceau 2R | C.I. Acid Red 26 | Ponceau de Xylidine | Xylidine Ponceau | Xylidine Red | Ponceau Red | Ponceau R | CI F Food Red 5 | Ponceau Red R | Ponceau G | Brilliant ponceau G | C.I. 16150 | Lake ponceau | P

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Analytical standard

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(=C(C=C1)N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)[O-])S(=O)(=O)[O-])C.[Na+].[Na+]
• IUPAC Name: disodium;4-[(2,4-dimethylphenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonate
• InChIKey: YJVBLROMQZEFPA-UHFFFAOYSA-L
• INCHI: 1S/C18H16N2O7S2.2Na/c1-10-3-6-15(11(2)7-10)19-20-17-14-5-4-13(28(22,23)24)8-12(14)9-16(18(17)21)29(25,26)27;;/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2
• Isómeros SMILES: CC1=CC(=C(C=C1)N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)[O-])S(=O)(=O)[O-])C.[Na+].[Na+]
• WGK Alemania: 3
• RTECS: QJ6825000
• Peso molecular: 480.42
• Beilstein: 5709350
• Reaxy-Rn: 5709350
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5709350&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives
        • Level5 Naphthalene sulfonates
          • Level6 2-naphthalene sulfonates

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Naphthalene sulfonic acids and derivatives
• Intermediate Tree Nodes: Naphthalene sulfonates
• Direct Parent: 2-naphthalene sulfonates
• Alternative Parents: 2-naphthalene sulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds m-Xylenes Phenoxides Sulfonyls Organosulfonic acids Azo compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - M-xylene - Xylene - Phenoxide - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic salt - Organic nitrogen compound - Organic oxygen compound - Aromatic homopolycyclic compound
• Descripción: This compound 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.
• External Descriptors: organic sodium salt

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 480.400 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 480.004 Da
• Monoisotopic Mass: 480.004 Da
• Topological Polar Surface Area: 176.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 791.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3

Referencias

1. Ping Niu, Chunhui Li, Chunyan Kong, Ning Zhang, Bingwei Xin, Fang Wang, Aili Wang, Dunqing Wang, Chunxiao Jia, Jingcheng Hao.  (2023)  Catalytic performance of alkaline earth metals doped-Co3O4 for azo dye degradation by peroxymonosulfate activation.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2023.132030]

2. Hua Li, Cheng Taozhi, Liang Zhiyong, Wei Ting.  (2022)  Investigation of the mechanism of phytate-modified biochar-catalyzed persulfate degradation of Ponceau 2R.  Biochar,  4  (1): (1-13).  [PMID:] [10.1007/s42773-022-00136-3]

3. Zhen Wang, Yiping Wang, Marta Vivar, Manuel Fuentes, Li Zhu, Lianwei Qin.  (2014)  Photovoltaic and photocatalytic performance study of SOLWAT system for the degradation of Methylene Blue, Acid Red 26 and 4-Chlorophenol.  APPLIED ENERGY,      [PMID:] [10.1016/j.apenergy.2014.01.039]

4. Feng-Hua Xu, Xiao Sun, Jun Zhu, Ling-Yang Kong, Yuan Chang, Ning Li, Wen-Xiang Hui, Cong-Peng Zhang, Yi-Ming Cheng, Wen-Xin Han, Zhi-Min Tian, Yan-Ning Qiao, Dong-feng Chen, Lei Liu, Da-Yun Feng, Jing Han.  (2025)  Significance of the gut tract in the therapeutic mechanisms of polydopamine for acute cerebral infarction: neuro-immune interaction through the gut-brain axis.  Frontiers in Cellular and Infection Microbiology,      [PMID:40104260] [10.3389/fcimb.2024.1413018]

5. Yuanzhi Gao, Jiahong Ji, Xiaosong Zhang.  (2025)  A photovoltaic–thermoelectric water treatment system based on heterogeneous photocatalytic oxidation: A preliminary experimental study.  ENERGY CONVERSION AND MANAGEMENT,      [PMID:] [10.1016/j.enconman.2025.120316]

6. Jianlin Luo, Mingbo Wang, Lulu Qiu, Qingqing Huang, Xiaoting Liu, Linying Hao, Ting Ye, Wencong Shang, Kaizhuo Wang, Hui Wang, Yonglu Meng, Kai Xu, Can Li.  (2025)  Biocompatible Pickering Emulsions from Andrias davidianus Byproducts for Promoting Burn Wound Healing.  Biomaterials Research,      [PMID:40836952] [10.34133/bmr.0233]