Allura Red AC - ≥99% , CAS No.25956-17-6

CAS: 25956-17-6 Cat. No.: A107366 Molecular Weight: 496.42 EC Number: 247-368-0

GRADE & PURITY ≥99%

Synonyms

CI 16035; Food Red 17; Fancy Red; | Allura Red AC | Japan Red 40 | DTXCID504436 | F D & C RED #40 LAKE [VANDF] | FDC Red 40 dye | HSDB 7260 | WZB9127XOA | AKOS015903081 | Disodium 6-hydroxy-5-((6-methoxy-4-sulfo-m-tolyl)azo)-2-naphthalenesulfonate | SCHEM

Storage

Room temperature

Shipped In

Normal

Overview

product description：

Allura Red AC is a food azo dye. It is a dark red powder or granules, that is soluble in water and insoluble in ethanol.

application：

Allura Red AC has been used:

for the determination of fecal neutral sterols (FNS) in mice

to evaluate its developmental toxicity

as a coloring reagent for observing the experimental performance of liquid-handling robot

Biochemical/Physiological Effects：

Allura Red AC has been used as a coloring agent and a non-absorbable color marker.

Specifications

Synonyms

CI 16035; Food Red 17; Fancy Red; | Allura Red AC | Japan Red 40 | DTXCID504436 | F D & C RED #40 LAKE [VANDF] | FDC Red 40 dye | HSDB 7260 | WZB9127XOA | AKOS015903081 | Disodium 6-hydroxy-5-((6-methoxy-4-sulfo-m-tolyl)azo)-2-naphthalenesulfonate | SCHEM

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504753501
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753501
• Canonical Smiles: CC1=CC(=C(C=C1S(=O)(=O)[O-])OC)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])O.[Na+].[Na+]
• IUPAC Name: disodium;6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate
• InChIKey: CEZCCHQBSQPRMU-UHFFFAOYSA-L
• INCHI: 1S/C18H16N2O8S2.2Na/c1-10-7-14(16(28-2)9-17(10)30(25,26)27)19-20-18-13-5-4-12(29(22,23)24)8-11(13)3-6-15(18)21;;/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2
• Isomeric SMILES: CC1=CC(=C(C=C1S(=O)(=O)[O-])OC)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])O.[Na+].[Na+]
• Molecular Weight: 496.42
• Reaxy-Rn: 8180063
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8180063&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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 Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Toluenes Phenoxides Alkyl aryl ethers Sulfonyls Organosulfonic acids Azo compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Organic sodium salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Toluene - Alkyl aryl ether - Phenoxide - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Azo compound - Organic 1,3-dipolar compound - Ether - Organic alkali metal salt - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homopolycyclic compound
• Description: 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: Not available

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

Chemical and Physical Properties

• Solubility: Soluble in water
• Melt Point(°C): >300°C
• Molecular Weight: 496.400 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 495.999 Da
• Monoisotopic Mass: 495.999 Da
• Topological Polar Surface Area: 185.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 809.000
• 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

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57. Xiangming Yang, Yan Liu, Yuting Zhong, Hui Chen.  (2024)  Ultra-durable photothermal anti-/de-icing superhydrophobic coating with water droplets freezing from the outside in.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:39667332] [10.1016/j.jcis.2024.12.044]

58. Xi Wang, Ning Chen, Qing Han, Zaiyue Yang, Jinhua Wu, Cheng Xue, Junli Hong, Xuemin Zhou, Huijun Jiang.  (2015)  Selective separation and determination of the synthetic colorants in beverages by magnetic solid-phase dispersion extraction based on a Fe3O4/reduced graphene oxide nanocomposite followed by high-performance liquid chromatography with diode array detection.  JOURNAL OF SEPARATION SCIENCE,  38  (12): (2167-2173).  [PMID:25864558] [10.1002/jssc.201500014]

59. Gege Yue, Yuan Li, Xiaozhen Wang, Yu-e Shi, Meng Jiao, Zhenguang Wang.  (2025)  Function sulfur nanodots for the detection and discrimination of allura red from food pigments.  FOOD CHEMISTRY,      [PMID:40203698] [10.1016/j.foodchem.2025.144219]

60. Xiangming Yang, Haoji Jiang, Yuting Zhong, Yan Liu, Hui Chen.  (2025)  Hierarchically heterostructured ceramic cellular-polymer gradient coatings: Synergistic autonomous ice shedding and extreme-environment durability.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:40347646] [10.1016/j.jcis.2025.137813]

61. Sheng Gong, Fangsheng Xu, Haiyan Liao, Heyang Sun, Chaoqiang Huang, Xinhua Zhou, Murtaza Hasan, Sundaram Gunasekaran.  (2025)  Calcium Alginate Microcapsules Loaded with Vanillin-Chitosan Complex for improving biosafety and bioavailability.  NEW JOURNAL OF CHEMISTRY,      [PMID:] [10.1039/D5NJ01254F]

62. Qing Zhou, Feng Jin, Man Liu, Xiangxi Zhang, Qi Li, Lei Yang.  (2025)  Preparation of Tunable Multicolor Persistent Room Temperature Phosphorescence Materials by Doping Cellulose Nanocrystals with Aromatic Carboxylic Acids.  Advanced Optical Materials,      [PMID:] [10.1002/adom.202500383]

63. Yihan Wang, Yihao Wang, Jianjun Cheng, Chun Chen, Fei Zhan, Lei Wang, Guoyong Song.  (2025)  A durable biomimetic nest-shaped superhydrophobic/ anti-icing material derived from wood fibers.  Journal of the Taiwan Institute of Chemical Engineers,      [PMID:] [10.1016/j.jtice.2025.106455]

64. Na-won Baek, Shin-hee Lee.  (2026)  Efficient biodegradation and decolorization of azo dyes using peroxidase/chitosan-based enzyme-assisted coagulation.  Journal of Environmental Chemical Engineering,  14  (2): (121235).  [PMID:] [10.1016/j.jece.2026.121235]