2-Naphthalenesulfonic acid, 6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-, disodium salt (CAS 25956-17-6) — Citrus Not applicable Note Fragrance Ingredient
2-Naphthalenesulfonic acid, 6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-, disodium salt
CAS 25956-17-6
What Is 2-Naphthalenesulfonic acid, 6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-, disodium salt?
2-Naphthalenesulfonic acid is a synthetic compound primarily used in industrial applications, not in consumer fragrances. You won’t encounter this in perfumes or scented products. This chemical belongs to a class of sulfonated azo compounds, which are more commonly employed in dyes and industrial processes than in perfumery.
Safety Profile
PROFESSIONAL USEWhat Does 2-Naphthalenesulfonic acid, 6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-, disodium salt Smell Like?
This compound has no documented odor profile suitable for perfumery applications. As an industrial sulfonated azo compound, it is not used for its aromatic properties. The molecular structure suggests potential harsh, chemical characteristics rather than pleasant fragrance notes.
2D Molecular Structure
SMILES: [Na+].[Na+].COC1=C(C=C(C)C(=C1)S([O-])(=O)=O)N=NC1=C2C=CC(=CC2=CC=C1O)S([O-])(=O)=O
Chemistry, Properties & Perfumer Guide
The Chemistry
2-Naphthalenesulfonic acid is a synthetic azo compound containing naphthalene and sulfonic acid functional groups. The molecular structure features a complex arrangement with multiple aromatic rings, sulfonate groups, and an azo bridge (-N=N-). This class of compounds is primarily manufactured for industrial dye applications rather than fragrance use. The presence of multiple charged sulfonate groups makes this compound highly water-soluble and polar, properties not typically desirable in fragrance ingredients.
Physical & Chemical Properties
| Molecular Class | Sulfonated azo compound |
|---|---|
| Primary Use | Industrial dye applications |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Industrial | N/A | N/A | No perfumery applications |
Classic Accords
Tip: This compound is not suitable for fragrance formulations.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not listed in IFRA standards – no fragrance applications
RIFM Assessment
No RIFM assessment – not a fragrance material
Sustainability
As an industrial chemical without fragrance applications, sustainability considerations focus on manufacturing processes and waste management rather than perfumery sourcing. The compound’s synthetic nature means it doesn’t impact natural resources directly, but proper handling of sulfonated azo compounds is important for environmental protection.
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Physicochemical Properties
DTXSID: DTXSID4024436
Physical Properties
| Molecular Weight | 496.42 g/mol🔬 EPA CompTox |
| Boiling Point | 282 °C📊 OPERA |
| Melting Point | 229 °C📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.07 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 1.07 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 0.91 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 9.37 Log10 unitless📊 OPERA |
| Water Solubility | 0.453 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 168.58 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 10 count💻 Computed |
| Rotatable Bonds | 5 count💻 Computed |
| Aromatic Rings | 3 count💻 Computed |
Data Sources:
🔬 EPA Experimental data from U.S. EPA CompTox Chemicals Dashboard & CTX APIs. 📊 OPERA Predicted using EPA's OPERA QSAR models. 💻 Computed Calculated from SMILES using RDKit.
