1-Methyl-4-(isopropyl)cyclohexan-1-ol (CAS 21129-27-1) — Woody Middle Note Fragrance Ingredient
1-Methyl-4-(isopropyl)cyclohexan-1-ol
CAS 21129-27-1
What Is 1-Methyl-4-(isopropyl)cyclohexan-1-ol?
1-Methyl-4-(isopropyl)cyclohexan-1-ol is a synthetic fragrance ingredient used in perfumes and personal care products. It contributes to fresh, woody, and slightly herbal scent profiles. This molecule is valued for its stability and versatility in modern fragrance compositions.
Safety Profile
GENERALLY SAFEWhat Does 1-Methyl-4-(isopropyl)cyclohexan-1-ol Smell Like?
1-Methyl-4-(isopropyl)cyclohexan-1-ol offers a crisp, woody aroma with subtle herbal undertones. The scent evolves from a fresh, slightly camphoraceous opening to a clean, dry woody heart. Its dry-down is smooth and persistent, blending well with other woody and citrus notes. The overall impression is reminiscent of freshly cut wood with a hint of minty coolness.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to enhance the woody, earthy facets of this fragrance, providing a clean and natural woodiness that complements the sage and sea salt notes.
Adds a crisp, woody dimension to the citrus and mineral notes, contributing to the fragrance’s modern, earthy character.
Used to amplify the woody and slightly smoky aspects, blending seamlessly with the sandalwood and cedar notes.
Provides a fresh, woody backbone that supports the citrus and incense notes, adding depth and longevity.
Contributes to the woody, smoky facets of this iconic fragrance, enhancing its masculine and sophisticated profile.
2D Molecular Structure
SMILES: CC(C)C1CCC(C)(O)CC1
Chemistry, Properties & Perfumer Guide
The Chemistry
1-Methyl-4-(isopropyl)cyclohexan-1-ol is a synthetic terpene alcohol with a cyclohexane backbone. It is typically synthesized via hydrogenation of corresponding terpenes or through catalytic processes. The molecule’s structure allows for good stability and moderate volatility, making it suitable for various fragrance applications. Its isopropyl group contributes to its woody character, while the hydroxyl group enhances its solubility in common fragrance solvents.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 2-5% | Up to 10% | Adds woody depth |
| Personal Care | 1-3% | Up to 5% | Provides fresh woody notes |
| Household Products | 0.5-2% | Up to 3% | Enhances clean, woody scents |
Classic Accords
Tip: Use in woody accords to add freshness and lift without overpowering other notes.
Alternatives & Comparisons
Provides a smoother, more diffusive woody note with less herbal character.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted by IFRA.
RIFM Assessment
No specific safety concerns identified by RIFM.
Sustainability
As a synthetic ingredient, 1-Methyl-4-(isopropyl)cyclohexan-1-ol is produced through controlled chemical processes, reducing the environmental impact associated with natural extraction. Its synthesis can be optimized for minimal waste and energy use, making it a sustainable choice for modern fragrance formulations.
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References
- PubChem Compound Summary for 1-Methyl-4-(isopropyl)cyclohexan-1-ol PubChem
- IFRA Standards Library IFRA
- RIFM Fragrance Ingredient Safety Assessment RIFM
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 21129-27-1Physical Properties
| Molecular Weight | 156.26 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.6🔬 PubChem |
| Boiling Point | 208.5 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0316 mmHg @ 25°C📊 OPERA |
| Flash Point | 83.4 °C🔬 EPA CompTox |
| Involatility Index | 0.0027💻 Calculated |
| log Kp (skin permeability) | -1.807💻 Calculated |
| SMILES | CC(C)C1CCC(CC1)(C)O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 2.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | greenwoody• leffingwell |
| Functional Groups | alcohol💻 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: DTXSID3066681
Physical Properties
| Molecular Weight | 156.269 g/mol🔬 EPA CompTox |
| Density | 0.898 g/cm^3📊 OPERA |
| Boiling Point | 208.5 °C🔬 EPA CTX |
| Melting Point | 59.176 °C📊 OPERA |
| Flash Point | 84.79 °C📊 OPERA |
| Refractive Index | 1.461 Dimensionless📊 OPERA |
| Molar Volume | 173.973 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.192 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.192 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.192 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.71 Log10 unitless📊 OPERA |
| Water Solubility | 0.005 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.039 mmHg📊 OPERA |
| Viscosity | 8.686 cP📊 OPERA |
| Surface Tension | 30.5 dyn/cm📊 OPERA |
| Thermal Conductivity | 128.137 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 | 1 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 47.739 cm^3/mol📊 OPERA |
| Polarizability | 18.925 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.
