2-Naphthalenesulfonic acid, 6-hydroxy-5-[(4-sulfophenyl)azo]-, disodium salt (CAS 2783-94-0) — Citrus N/A Note Fragrance Ingredient
2-Naphthalenesulfonic acid, 6-hydroxy-5-[(4-sulfophenyl)azo]-, disodium salt
CAS 2783-94-0
What Is 2-Naphthalenesulfonic acid, 6-hydroxy-5-[(4-sulfophenyl)azo]-, disodium salt?
2-Naphthalenesulfonic acid is a synthetic dye compound primarily used in industrial applications. Consumers may encounter it in certain textile dyes or specialized inks. This ingredient does not have significant fragrance applications, as it lacks notable olfactory properties and is valued for its colorant characteristics rather than scent.
Safety Profile
PROFESSIONAL USEWhat Does 2-Naphthalenesulfonic acid, 6-hydroxy-5-[(4-sulfophenyl)azo]-, disodium salt Smell Like?
This compound has no significant odor profile suitable for perfumery applications. As an industrial dye chemical, it was not developed for olfactory characteristics and does not contribute to fragrance compositions. The molecular structure suggests it would likely be odorless or have only faint chemical notes at high concentrations.
2D Molecular Structure
SMILES: [Na+].[Na+].OC1=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C2=C(C=C1)C=C(C=C2)S([O-])(=O)=O
Chemistry, Properties & Perfumer Guide
The Chemistry
2-Naphthalenesulfonic acid is a synthetic azo dye compound with multiple sulfonate groups that make it water-soluble. The structure contains a naphthalene core with hydroxyl and azo functional groups. Industrial synthesis typically involves diazotization and coupling reactions. The disodium salt form improves solubility for dye applications. This compound belongs to the class of sulfonated azo dyes, which are valued for their colorfast properties rather than fragrance characteristics.
Physical & Chemical Properties
| Appearance | Solid powder |
|---|---|
| Primary Use | Industrial dye |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Industrial Dyes | 0.1-5% | Varies by application | Not for fragrance use |
Classic Accords
Tip: This compound is not suitable for perfumery applications.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not evaluated by IFRA – industrial chemical outside fragrance scope
RIFM Assessment
Not assessed by RIFM – industrial chemical without fragrance applications
Sustainability
As an industrial dye chemical, sustainability considerations focus on manufacturing waste streams and potential water contamination. Synthetic production avoids natural resource depletion but requires careful handling of sulfonated byproducts. The compound’s environmental impact relates primarily to its persistence in water systems rather than fragrance industry concerns.
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Ingredient Data Sheet
CAS 2783-94-0Physical Properties
| Molecular Weight | 452.4 g/mol🔬 PubChem |
| Boiling Point | 282 °C🔬 EPA CompTox |
| Vapor Pressure | 0 mmHg @ 25°C📊 OPERA |
| SMILES | C1=CC(=CC=C1N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+]🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
Odor & Flavor
| Functional Groups | phenolaromatic💻 RDKit |
Physical data: PubChem (NIH/NLM), U.S. EPA CompTox Dashboard, EPA OPERA models, RDKit. Odor & flavor: Arctander (Perfume & Flavor Chemicals), Fenaroli's Handbook of Flavor Ingredients, Leffingwell. Thresholds: van Gemert (Compilations of Odour Threshold Values). Regulatory: IFRA Standards 51st, FEMA GRAS. Trade names: Surburg (Common Fragrance & Flavor Materials). All data compiled and cross-referenced for perfumertools.com.
Physicochemical Properties
DTXSID: DTXSID6021456
Physical Properties
| Molecular Weight | 452.36 g/mol🔬 EPA CompTox |
| Boiling Point | 282 °C📊 OPERA |
| Melting Point | 230 °C📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.78 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 1.52 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | -0.04 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 9.34 Log10 unitless📊 OPERA |
| Water Solubility | 0.293 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 | 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 |
| Molar Refractivity | 92.16 cm^3/mol💻 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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