1-Naphthalenesulfonic acid, 3-[(2,4-dimethyl-5-sulfophenyl)azo]-4-hydroxy-, disodium salt (CAS 4548-53-2) — Citrus N/A Note Fragrance Ingredient
1-Naphthalenesulfonic acid, 3-[(2,4-dimethyl-5-sulfophenyl)azo]-4-hydroxy-, disodium salt
CAS 4548-53-2
What Is 1-Naphthalenesulfonic acid, 3-[(2,4-dimethyl-5-sulfophenyl)azo]-4-hydroxy-, disodium salt?
This synthetic azo dye is primarily used as a colorant in industrial applications, not fragrances. Consumers may encounter it in certain textiles or paper products. While not a traditional perfume ingredient, understanding its properties is important for regulatory compliance and safety assessments in manufacturing contexts.
Safety Profile
PROFESSIONAL USEWhat Does 1-Naphthalenesulfonic acid, 3-[(2,4-dimethyl-5-sulfophenyl)azo]-4-hydroxy-, disodium salt Smell Like?
This compound is not used for its olfactory properties. As an industrial dye, it has negligible fragrance characteristics and is primarily valued for its coloring properties rather than any scent profile.
2D Molecular Structure
SMILES: [Na+].[Na+].CC1=CC(C)=C(C=C1N=NC1=CC(=C2C=CC=CC2=C1O)S([O-])(=O)=O)S([O-])(=O)=O
Chemistry, Properties & Perfumer Guide
The Chemistry
1-Naphthalenesulfonic acid derivative with azo linkage, synthesized through diazotization and coupling reactions. The disodium salt form enhances water solubility for industrial applications. The molecular structure features both sulfonic acid groups and azo bonds that contribute to its chromophoric properties. As an aromatic sulfonate, it exhibits stability under various processing conditions.
Physical & Chemical Properties
| Appearance | Solid powder |
|---|---|
| Primary Use | Industrial dye |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Industrial | 0% | 0% | Not used in fragrance applications |
Classic Accords
Tip: This material should not be used in 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 – not a fragrance material.
RIFM Assessment
No RIFM assessment – not a fragrance material.
Sustainability
Industrial production follows standard chemical manufacturing processes. Environmental considerations focus on wastewater treatment due to dye properties. Not relevant for sustainable fragrance development.
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Physicochemical Properties
DTXSID: DTXSID2021234
Physical Properties
| Molecular Weight | 480.42 g/mol🔬 EPA CompTox |
| Boiling Point | 296 °C📊 OPERA |
| Melting Point | 230 °C📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.18 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.01 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 0.58 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 9.36 Log10 unitless📊 OPERA |
| Water Solubility | 0.178 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 159.35 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 9 count💻 Computed |
| Rotatable Bonds | 4 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.
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