1-Naphthalenol, 4-[(4-ethoxyphenyl)azo]- (CAS 6535-42-8) — Citrus N/A Note Fragrance Ingredient
1-Naphthalenol, 4-[(4-ethoxyphenyl)azo]-
CAS 6535-42-8
What Is 1-Naphthalenol, 4-[(4-ethoxyphenyl)azo]-?
1-Naphthalenol, 4-[(4-ethoxyphenyl)azo]- is a synthetic azo dye used in industrial applications. While not commonly encountered in consumer products, it may appear in specialized materials. This compound matters because its structural properties make it useful in technical applications, though its safety profile requires careful handling.
Safety Profile
PROFESSIONAL USEWhat Does 1-Naphthalenol, 4-[(4-ethoxyphenyl)azo]- Smell Like?
This synthetic compound lacks a distinctive olfactory profile suitable for perfumery. Its industrial nature prioritizes functional properties over aromatic qualities, making it unsuitable for traditional fragrance applications.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
2D Molecular Structure
SMILES: CCOC1=CC=C(C=C1)N=NC1=C2C=CC=CC2=C(O)C=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
1-Naphthalenol, 4-[(4-ethoxyphenyl)azo]- is an azo compound characterized by its naphthalene backbone and ethoxyphenylazo functional group. Azo compounds are synthesized via diazotization followed by coupling reactions. This particular structure lacks significant fragrance utility due to its industrial focus and potential safety concerns.
Physical & Chemical Properties
| Molecular Weight | N/A |
|---|---|
| Boiling Point | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|
Classic Accords
Tip: Not recommended for perfumery due to safety and lack of olfactory value.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not listed in IFRA standards due to non-perfumery use.
GHS Classification
RIFM Assessment
No RIFM assessment available for this compound.
Sustainability
This synthetic compound is produced for industrial purposes with no notable sustainable sourcing considerations.
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Physicochemical Properties
DTXSID: DTXSID6064402
Physical Properties
| Molecular Weight | 292.338 g/mol🔬 EPA CompTox |
| Density | 1.179 g/cm^3📊 OPERA |
| Boiling Point | 416.222 °C📊 OPERA |
| Melting Point | 159.984 °C📊 OPERA |
| Flash Point | 267.326 °C📊 OPERA |
| Refractive Index | 1.607 Dimensionless📊 OPERA |
| Molar Volume | 249.149 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.326 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.326 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.315 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 11.13 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg📊 OPERA |
| Surface Tension | 44.026 dyn/cm📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 54.18 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 4 count💻 Computed |
| Rotatable Bonds | 4 count💻 Computed |
| Aromatic Rings | 3 count💻 Computed |
| Molar Refractivity | 86.018 cm^3/mol📊 OPERA |
| Polarizability | 34.1 Å^3📊 OPERA |
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.
