1-(1-Naphthyl)ethanone (CAS 941-98-0) — Woody Base Note Fragrance Ingredient
1-(1-Naphthyl)ethanone
CAS 941-98-0
What Is 1-(1-Naphthyl)ethanone?
1-(1-Naphthyl)ethanone is a synthetic aromatic compound not commonly encountered in everyday products. It’s primarily used in specialized fragrance formulations and industrial applications. This ingredient is valued by perfumers for its unique aromatic properties, though it’s not a mainstream component in consumer goods.
Safety Profile
PROFESSIONAL USEWhat Does 1-(1-Naphthyl)ethanone Smell Like?
1-(1-Naphthyl)ethanone presents a complex aromatic profile with sharp, slightly medicinal top notes that evolve into a warm, woody-naphthalenic heart. The dry-down reveals persistent musky undertones with a faintly sweet, almost tar-like character. Its odor profile is reminiscent of aged books mixed with mothballs, but with more refined aromatic nuances.
2D Molecular Structure
SMILES: CC(=O)C1=CC=CC2=CC=CC=C12
Chemistry, Properties & Perfumer Guide
The Chemistry
1-(1-Naphthyl)ethanone is a synthetic aromatic ketone belonging to the naphthalene derivative family. It’s produced through Friedel-Crafts acylation of naphthalene. The compound features a ketone group attached to the α-position of naphthalene, creating a planar aromatic system with distinctive electronic properties. Its synthesis typically involves acetyl chloride and aluminum chloride as catalyst.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.1-0.5% | Up to 1% | Used as a fixative and modifier |
| Industrial | 1-5% | Up to 10% | For specialty applications |
Classic Accords
Tip: Use sparingly as it can dominate compositions and cause discoloration.
Alternatives & Comparisons
Similar aromatic profile but with slightly sweeter, less medicinal character.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions currently apply to this compound.
RIFM Assessment
Limited RIFM assessment data available for this compound.
Sustainability
As a synthetic compound, 1-(1-Naphthyl)ethanone is produced through petrochemical routes with standard industrial environmental impacts. Its specialized use means production volumes are relatively low compared to mainstream fragrance ingredients. Proper waste management is recommended during synthesis and formulation.
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Physicochemical Properties
DTXSID: DTXSID4052635
Physical Properties
| Molecular Weight | 170.211 g/mol🔬 EPA CompTox |
| Density | 1.117 g/cm^3🔬 EPA CTX |
| Boiling Point | 301.2 °C🔬 EPA CTX |
| Melting Point | 18.62 °C🔬 EPA CTX |
| Flash Point | 120.95 °C🔬 EPA CTX |
| Refractive Index | 1.615 Dimensionless📊 OPERA |
| Molar Volume | 155.08 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.938 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 3.05 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.05 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.91 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.001 mmHg🔬 EPA CTX |
| Viscosity | 6.546 cP📊 OPERA |
| Surface Tension | 42.263 dyn/cm📊 OPERA |
| Thermal Conductivity | 135.387 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 17.07 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 1 count💻 Computed |
| Aromatic Rings | 2 count💻 Computed |
| Molar Refractivity | 54.123 cm^3/mol📊 OPERA |
| Polarizability | 21.456 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.
