beta-Naphthyl isobutyl ether (CAS 2173-57-1) — Floral Middle Note Fragrance Ingredient
beta-Naphthyl isobutyl ether
CAS 2173-57-1
What Is beta-Naphthyl isobutyl ether?
Beta-Naphthyl isobutyl ether is a synthetic fragrance ingredient used to add floral and slightly woody nuances to perfumes. You’ll encounter it in fine fragrances and some body care products. This molecule matters because it provides a cost-effective alternative to certain natural floral extracts, allowing perfumers to create stable, long-lasting floral accords without reliance on seasonal botanicals.
Safety Profile
USE WITH AWARENESSWhat Does beta-Naphthyl isobutyl ether Smell Like?
Beta-Naphthyl isobutyl ether opens with a crisp, slightly medicinal floral character reminiscent of orange blossoms dipped in rubbing alcohol. The sharp top rapidly softens into a heart of powdery naphthalene-like floralcy with an unexpected fruity undertone. In drydown, it reveals a dry woody facet with persistent floral whispers. The overall effect is like smelling a vintage sachet through a thin veil of isopropyl alcohol – simultaneously nostalgic and clean.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
2D Molecular Structure
SMILES: CC(C)COC1=CC2=CC=CC=C2C=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Beta-Naphthyl isobutyl ether belongs to the aromatic ether class, synthesized through Williamson ether synthesis by reacting beta-naphthol with isobutyl bromide under basic conditions. The resulting molecule features a naphthalene ring system connected to an isobutyl group via an oxygen bridge. While not found in nature, its structure mimics certain floral lactones. The absence of chiral centers makes it optically inactive, contributing to consistent olfactory performance across batches.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Refractive Index | 1.57-1.59 (20°C) |
| Solubility | Insoluble in water, soluble in alcohol and oils |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Floral modifier in oriental compositions |
| Soap | 0.1-0.5% | Up to 1% | Provides floral persistence in alkaline media |
Classic Accords
Tip: Use with citrus fractions to brighten its potentially heavy floral character.
Alternatives & Comparisons
For cleaner floral effects with less powderiness, though lacks the woody drydown.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted under IFRA standards.
GHS Classification
RIFM Assessment
Listed in RIFM database with no significant safety concerns at standard usage levels.
Sustainability
As a purely synthetic material, beta-Naphthyl isobutyl ether avoids agricultural impacts but relies on petrochemical feedstocks. Its synthesis generates minimal waste compared to natural extract production. The material’s stability reduces preservative needs in finished products.
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References
- Arctander, S. (1969). Perfume and Flavor Chemicals. Montclair, NJ.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID1051484
Physical Properties
| Molecular Weight | 200.281 g/mol🔬 EPA CompTox |
| Density | 1.09 g/cm^3🔬 EPA CTX |
| Boiling Point | 303.2 °C🔬 EPA CTX |
| Melting Point | 31.567 °C🔬 EPA CTX |
| Flash Point | 132.649 °C📊 OPERA |
| Refractive Index | 1.568 Dimensionless📊 OPERA |
| Molar Volume | 197.449 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 5.1 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 4.292 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.292 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.42 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.001 mmHg🔬 EPA CTX |
| Viscosity | 8.273 cP📊 OPERA |
| Surface Tension | 37.366 dyn/cm📊 OPERA |
| Thermal Conductivity | 126.125 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 9.23 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 3 count💻 Computed |
| Aromatic Rings | 2 count💻 Computed |
| Molar Refractivity | 64.631 cm^3/mol📊 OPERA |
| Polarizability | 25.622 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.
