Phenol (CAS 108-95-2) — Woody Not used Note Fragrance Ingredient
Phenol
CAS 108-95-2
What Is Phenol?
Phenol is a synthetic organic compound widely used in industrial applications, from plastics to pharmaceuticals. While not common in consumer products due to its toxicity, it’s historically significant as the first antiseptic. Phenol matters because it demonstrates how chemical structure influences both utility and hazard – a foundational concept in fragrance safety.
Safety Profile
PROFESSIONAL USEWhat Does Phenol Smell Like?
Phenol has a distinct medicinal, tar-like odor with sharp chemical undertones. Initially presenting as intensely antiseptic (reminiscent of old hospitals), it evolves into a more complex profile with rubbery and smoky nuances. The dry-down reveals lingering industrial character – imagine the scent left after burning electrical insulation.
2D Molecular Structure
SMILES: OC1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Phenol (C6H5OH) is the simplest aromatic alcohol. Its hydroxyl group bonded to a benzene ring creates unique reactivity. Industrially produced via cumene process or coal tar distillation. Notable for its acidity (pKa≈10) and role as precursor to many plastics. The aromatic system provides stability while the -OH group enables hydrogen bonding.
Physical & Chemical Properties
| Boiling Point | 181.7 °C |
|---|---|
| Melting Point | 40.5 °C |
| Flash Point | 79 °C |
| Density | 1.07 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Not used | 0% | 0% | Prohibited in cosmetics |
Classic Accords
Tip: Not applicable for perfumery due to toxicity.
Alternatives & Comparisons
Safe aromatic alcohol with rosy notes used as preservative and fragrance component.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
IFRA prohibits use in fragrance compounds (Amendment 49).
GHS Classification
RIFM Assessment
RIFM considers phenol unsafe at any concentration for fragrance use.
Sustainability
Phenol production has significant environmental impact due to benzene derivatives in synthesis. Coal tar extraction poses contamination risks. Modern plants must manage wastewater containing phenolic compounds. Some bio-based production methods are being researched but not yet commercially viable.
Explore Phenol
Browse essential oils and aroma compounds.
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References
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorLayer 3 · Practical
- Odor Profile: medicinal, phenolic
- FEMA GRAS: 3223
- Molecular Weight: 94.11 g/mol
- LogP (XLogP): 1.50
Physicochemical Properties
DTXSID: DTXSID5021124
Physical Properties
| Molecular Weight | 94.113 g/mol🔬 EPA CompTox |
| Density | 1.062 g/cm^3🔬 EPA CTX |
| Boiling Point | 181.875 °C🔬 EPA CTX |
| Melting Point | 41.369 °C🔬 EPA CTX |
| Flash Point | 79.854 °C🔬 EPA CTX |
| Refractive Index | 1.553 Dimensionless📊 OPERA |
| Molar Volume | 87.863 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.46 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 1.544 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.543 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.8 Log10 unitless📊 OPERA |
| Water Solubility | 0.919 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 0.332 mmHg🔬 EPA CTX |
| Viscosity | 5.397 cP📊 OPERA |
| Surface Tension | 38.782 dyn/cm📊 OPERA |
| Thermal Conductivity | 150.008 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 20.23 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 0 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 28.134 cm^3/mol📊 OPERA |
| Polarizability | 11.153 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.
