1-methyl-3-(2-methylpropyl)cyclohexan-1-ol (CAS 215231-33-7) — Woody Middle Note Fragrance Ingredient
1-methyl-3-(2-methylpropyl)cyclohexan-1-ol
CAS 215231-33-7
What Is 1-methyl-3-(2-methylpropyl)cyclohexan-1-ol?
1-methyl-3-(2-methylpropyl)cyclohexan-1-ol is a synthetic fragrance ingredient used in modern perfumery. It’s found in various personal care products and fine fragrances. This compound contributes unique olfactory characteristics that enhance complexity and longevity in fragrance formulations.
Safety Profile
GENERALLY SAFEWhat Does 1-methyl-3-(2-methylpropyl)cyclohexan-1-ol Smell Like?
1-methyl-3-(2-methylpropyl)cyclohexan-1-ol offers a complex olfactory profile with woody, slightly floral undertones. It evolves from a fresh, green top note to a warm, musky base, providing excellent tenacity. The dry-down reveals subtle balsamic nuances that blend seamlessly with other ingredients.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
2D Molecular Structure
SMILES: CC(C)CC1CCCC(C)(O)C1
Chemistry, Properties & Perfumer Guide
The Chemistry
1-methyl-3-(2-methylpropyl)cyclohexan-1-ol is a synthetic cyclohexanol derivative. Its molecular structure features a cyclohexane ring with hydroxyl and isobutyl substituents. The compound is typically synthesized through catalytic hydrogenation or Grignard reactions. The stereochemistry at the chiral centers significantly influences its olfactory properties.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Used as a modifier |
| Personal Care | 0.5-2% | Up to 5% | Provides longevity |
Classic Accords
Tip: Use as a bridge between top and base notes to enhance diffusion.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply.
RIFM Assessment
No RIFM assessment currently available.
Sustainability
As a synthetic ingredient, 1-methyl-3-(2-methylpropyl)cyclohexan-1-ol offers consistent quality and reduced environmental impact compared to natural alternatives. Its production can be optimized for energy efficiency and minimal waste generation.
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Physicochemical Properties
DTXSID: DTXSID6051483
Physical Properties
| Molecular Weight | 170.296 g/mol🔬 EPA CompTox |
| Density | 0.887 g/cm^3📊 OPERA |
| Boiling Point | 218.649 °C📊 OPERA |
| Melting Point | 34.542 °C📊 OPERA |
| Flash Point | 87.825 °C📊 OPERA |
| Refractive Index | 1.456 Dimensionless📊 OPERA |
| Molar Volume | 192.826 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.276 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.276 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.276 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.5 Log10 unitless📊 OPERA |
| Water Solubility | 0.002 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.027 mmHg📊 OPERA |
| Viscosity | 14.834 cP📊 OPERA |
| Surface Tension | 30.352 dyn/cm📊 OPERA |
| Thermal Conductivity | 128.105 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 | 0 count💻 Computed |
| Molar Refractivity | 52.425 cm^3/mol📊 OPERA |
| Polarizability | 20.783 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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