Phenol, 4-(1-methylpropyl)- (CAS 99-71-8) — Woody Base Note Fragrance Ingredient
Phenol, 4-(1-methylpropyl)-
CAS 99-71-8
What Is Phenol, 4-(1-methylpropyl)-?
Phenol, 4-(1-methylpropyl)- is a synthetic aromatic compound used in fine fragrances and industrial applications. It contributes earthy, woody, and slightly smoky nuances. This ingredient matters because it adds depth and complexity to modern perfumery, often enhancing masculine and oriental compositions.
Safety Profile
USE WITH AWARENESSWhat Does Phenol, 4-(1-methylpropyl)- Smell Like?
Phenol, 4-(1-methylpropyl)- offers a robust, earthy aroma with woody undertones and a subtle smokiness. It evolves from a sharp, medicinal top note to a warm, resinous heart, finally settling into a dry, leathery base. The scent is reminiscent of aged oak barrels, charred wood, and distant campfires, adding a rugged, masculine character to fragrances.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to enhance the leather accord, adding a smoky, woody depth that complements the suede and raspberry notes.
Adds a rugged, earthy backbone to the powdery iris and vanilla, balancing sweetness with masculinity.
Contributes to the dark, smoky profile, enhancing the oud and cannabis notes with its resinous quality.
Used to amplify the vetiver’s earthy, woody character, adding a smoky edge to the dark composition.
Adds a leathery, smoky depth to the rich rose and patchouli, creating a luxurious, dark floral.
2D Molecular Structure
SMILES: CCC(C)C1=CC=C(O)C=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Phenol, 4-(1-methylpropyl)- is a synthetic aromatic compound belonging to the phenol class. It is typically synthesized through alkylation of phenol with isobutylene, resulting in a branched structure. The compound’s molecular geometry and electron distribution contribute to its distinct woody, smoky odor profile. Its stability and moderate volatility make it suitable for use in various fragrance applications.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Adds depth to woody and leather accords |
| Home Fragrance | 1-3% | Up to 5% | Enhances smoky, masculine scents |
Classic Accords
Tip: Use sparingly to avoid overpowering other notes; blends well with vetiver, patchouli, and leather accords.
Alternatives & Comparisons
Offers a similar smoky, woody profile but with more medicinal nuances, suitable for heavier compositions.
Provides a sharper, more phenolic character, ideal for industrial or leather fragrances.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions; use within recommended safety guidelines.
GHS Classification
RIFM Assessment
RIFM assessment pending; use with caution based on similar phenolic compounds.
Sustainability
Synthesized from petrochemical sources, with no significant natural alternatives. Production processes aim to minimize environmental impact through efficient catalysis and waste reduction.
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References
- PubChem Compound Summary for Phenol, 4-(1-methylpropyl)- PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 99-71-8Physical Properties
| Molecular Weight | 150.22 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.1🔬 PubChem |
| Boiling Point | 241 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0372 mmHg @ 25°C📊 OPERA |
| Flash Point | 115.6 °C🔬 EPA CompTox |
| Involatility Index | 0.0033💻 Calculated |
| log Kp (skin permeability) | -1.415💻 Calculated |
| SMILES | CCC(C)C1=CC=C(C=C1)O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 2.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | balsamicwoody• leffingwell |
| 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: DTXSID7022332
Physical Properties
| Molecular Weight | 150.221 g/mol🔬 EPA CompTox |
| Density | 0.987 g/cm^3📊 OPERA |
| Boiling Point | 241 °C🔬 EPA CTX |
| Melting Point | 60.8 °C🔬 EPA CTX |
| Flash Point | 115.7 °C🔬 EPA CTX |
| Refractive Index | 1.52 Dimensionless📊 OPERA |
| Molar Volume | 154.442 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.104 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 3.191 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.191 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.57 Log10 unitless📊 OPERA |
| Water Solubility | 0.006 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 0.037 mmHg🔬 EPA CTX |
| Viscosity | 8.623 cP📊 OPERA |
| Surface Tension | 34.705 dyn/cm📊 OPERA |
| Thermal Conductivity | 142.239 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 | 2 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 46.952 cm^3/mol📊 OPERA |
| Polarizability | 18.613 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.
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