4-(Isopropyl)cyclohexyl propionate (CAS 63449-95-6) — Woody Middle Note Fragrance Ingredient
4-(Isopropyl)cyclohexyl propionate
CAS 63449-95-6
What Is 4-(Isopropyl)cyclohexyl propionate?
4-(Isopropyl)cyclohexyl propionate is a synthetic fragrance ingredient often used in perfumes and personal care products to add a fresh, woody, and slightly fruity dimension. You’ll encounter it in body sprays, deodorants, and fine fragrances where a clean yet complex scent is desired. This molecule matters because it bridges floral and woody accords, providing perfumers with a versatile tool for creating modern, gender-neutral compositions. Its subtle sweetness makes it particularly useful in products designed for all-day wear.
Safety Profile
GENERALLY SAFEWhat Does 4-(Isopropyl)cyclohexyl propionate Smell Like?
4-(Isopropyl)cyclohexyl propionate opens with a crisp, almost aquatic freshness that quickly reveals a sophisticated duality – like morning dew on aged cedar planks. The top notes carry a transparent fruitiness reminiscent of underripe pear skin, which seamlessly transitions into a heart of polished oak and blanched almond. As it dries down, the molecule settles into a refined woody base with whispers of orris root and clean linen. What makes it remarkable is its ability to maintain clarity without becoming sharp, leaving a subtle sillage that feels both contemporary and timeless.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to create the illusion of driftwood – its crisp woody character blends with ambrette seed to form the fragrance’s distinctive ‘mineral’ accord that contrasts with the herbal top notes.
Contributes to the fragrance’s sleek modernity, adding a transparent woody layer that prevents the incense and sandalwood base from becoming too heavy.
Provides the ‘cold stone’ effect in this iconic fresh fragrance, working with green tea and blackcurrant to create its distinctive metallic freshness.
Used in the citrus-woody accord to extend the longevity of the top notes while maintaining a clean, athletic character throughout the fragrance’s evolution.
Helps bridge the pineapple top to the birch wood base, adding a polished wood facet that prevents the fragrance from becoming too sweet or smoky.
2D Molecular Structure
SMILES: CCC(=O)OC1CCC(CC1)C(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
4-(Isopropyl)cyclohexyl propionate belongs to the ester class of fragrance compounds, specifically a cyclohexyl ester derivative. While not found in nature, its structure draws inspiration from naturally occurring woody esters. The isopropyl group at the 4-position creates steric hindrance that slows hydrolysis, contributing to the material’s excellent stability in formulations. Industrial synthesis typically involves the esterification of 4-isopropylcyclohexanol with propionic acid under acidic conditions, followed by careful purification to remove residual reactants that could impart harsh notes.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | ~250 °C (estimated) |
| Density | ~0.93 g/cm³ (estimated) |
| Vapor Pressure | Low (estimated) |
| Solubility | Soluble in alcohol, insoluble in water |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 2-5% | Up to 8% | Used as a woody modifier |
| Body Care | 0.5-2% | Up to 3% | Adds sophistication to fresh scents |
| Fabric Care | 0.1-0.5% | Up to 1% | Provides clean linen character |
| Home Fragrance | 1-3% | Up to 5% | Works well in woody diffuser blends |
Classic Accords
Tip: Use as a bridge between citrus top notes and woody base materials to create seamless transitions in fresh compositions.
Alternatives & Comparisons
When more pronounced green apple and ozonic characteristics are desired, though lacks the woody depth of 4-(isopropyl)cyclohexyl propionate.
For more pronounced woody-ambergris effects, but doesn’t provide the same fresh-fruity top note character.
Offers similar woody-transparency with added floralcy, though with lower tenacity in the dry down.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted under any IFRA Standards. No usage limits specified as of Amendment 49 (2021).
RIFM Assessment
RIFM has reviewed this material and found no significant safety concerns at current usage levels in fragrance applications.
Sustainability
As a fully synthetic material, 4-(isopropyl)cyclohexyl propionate doesn’t rely on agricultural resources or contribute to deforestation. Its production requires standard petrochemical feedstocks, but modern manufacturing processes aim to minimize waste and energy consumption. Unlike some natural alternatives, it doesn’t require extensive land use or potentially problematic harvesting practices, making it a sustainable choice for reducing reliance on endangered woody materials.
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References
- Bauer, K. et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH. ISBN 9783527306276
- Arctander, S. (1969). Perfume and Flavor Chemicals. Allured Publishing. ASIN B0006BX8VK
- IFRA Standards Library IFRA Standards
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 63449-95-6Physical Properties
| Molecular Weight | 198.3 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.4🔬 PubChem |
| Boiling Point | 250.1 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0401 mmHg @ 25°C📊 OPERA |
| Flash Point | 104 °C🔬 EPA CompTox |
| Involatility Index | 0.0031💻 Calculated |
| log Kp (skin permeability) | -1.496💻 Calculated |
| SMILES | CCC(=O)OC1CCC(CC1)C(C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 2.8 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | sweetwoody• leffingwell |
| Functional Groups | esterether💻 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: DTXSID7052317
Physical Properties
| Molecular Weight | 198.306 g/mol🔬 EPA CompTox |
| Density | 0.93 g/cm^3🔬 EPA CTX |
| Boiling Point | 250.1 °C🔬 EPA CTX |
| Melting Point | -16.619 °C📊 OPERA |
| Flash Point | 104 °C🔬 EPA CTX |
| Refractive Index | 1.45 Dimensionless📊 OPERA |
| Molar Volume | 213.329 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 5.1 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 4.287 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.287 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.72 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.04 mmHg🔬 EPA CTX |
| Viscosity | 3.44 cP📊 OPERA |
| Surface Tension | 29.268 dyn/cm📊 OPERA |
| Thermal Conductivity | 127.694 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 26.3 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 3 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 57.351 cm^3/mol📊 OPERA |
| Polarizability | 22.736 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.
