Phenol, 2-(1-methylpropyl)- (CAS 89-72-5) — Woody Base Note Fragrance Ingredient
Phenol, 2-(1-methylpropyl)-
CAS 89-72-5
What Is Phenol, 2-(1-methylpropyl)-?
Phenol, 2-(1-methylpropyl)- is a synthetic aromatic compound used in industrial and specialty fragrances. It’s found in some woody or medicinal scents, though not commonly in consumer products. This ingredient matters as a building block for more complex fragrance molecules, offering chemists precise control over scent profiles in niche applications.
Safety Profile
PROFESSIONAL USEWhat Does Phenol, 2-(1-methylpropyl)- Smell Like?
This synthetic phenol presents a sharp, medicinal top note reminiscent of hospital disinfectants, with underlying woody facets that emerge as it dries. The initial phenolic punch gives way to a leathery, slightly smoky heart, while the base lingers with a dry, almost mineral-like quality. Its odor profile is linear rather than evolving, maintaining its chemical character throughout the dry-down.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
2D Molecular Structure
SMILES: CCC(C)C1=C(O)C=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
2-(1-methylpropyl)phenol belongs to the alkylphenol class, synthesized through Friedel-Crafts alkylation of phenol with sec-butyl halides. The branched alkyl chain at the ortho position creates steric hindrance that influences both reactivity and odor characteristics. As a synthetic material, it’s produced under controlled conditions to ensure purity and consistency.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Industrial Fragrance | <1% | Trace-2% | Used as modifier in heavy bases |
Classic Accords
Tip: Use in minute quantities to add phenolic depth to leather or woody bases.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA.
GHS Classification
RIFM Assessment
No RIFM safety assessment currently available.
Sustainability
As a synthetic material, production can be optimized for minimal waste, though the petrochemical origin presents standard sustainability challenges for fossil-derived compounds.
Explore Phenol, 2-(1-methylpropyl)-
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
Physicochemical Properties
DTXSID: DTXSID2022331
Physical Properties
| Molecular Weight | 150.221 g/mol🔬 EPA CompTox |
| Density | 0.967 g/cm^3🔬 EPA CTX |
| Boiling Point | 207.679 °C🔬 EPA CTX |
| Melting Point | 12.982 °C🔬 EPA CTX |
| Flash Point | 108.111 °C🔬 EPA CTX |
| Refractive Index | 1.52 Dimensionless📊 OPERA |
| Molar Volume | 154.442 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 74.446 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 3.286 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.286 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.57 Log10 unitless📊 OPERA |
| Water Solubility | 0.01 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.049 mmHg🔬 EPA CTX |
| Viscosity | 9.306 cP📊 OPERA |
| Surface Tension | 34.927 dyn/cm📊 OPERA |
| Thermal Conductivity | 138.746 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.
