Diethyl 1,4-cyclohexane dicarboxylate (CAS 72903-27-6) — Woody Middle Note Fragrance Ingredient
Diethyl 1,4-cyclohexane dicarboxylate
CAS 72903-27-6
What Is Diethyl 1,4-cyclohexane dicarboxylate?
Diethyl 1,4-cyclohexane dicarboxylate is a synthetic fragrance ingredient used in modern perfumery to create fresh, clean, and slightly woody accords. It’s commonly found in laundry detergents, fabric softeners, and air fresheners. This versatile molecule helps bridge fresh top notes with deeper base notes, making fragrances last longer while maintaining a crisp character. Its subtle yet impactful presence enhances the perceived cleanliness and sophistication of everyday products.
Safety Profile
GENERALLY SAFEWhat Does Diethyl 1,4-cyclohexane dicarboxylate Smell Like?
Diethyl 1,4-cyclohexane dicarboxylate presents a transparent, almost crystalline freshness reminiscent of freshly laundered linen drying in a mountain breeze. The initial impression is a clean, slightly citrus-tinged sharpness that quickly settles into a soft woody-musky undertone. Unlike harsh synthetic musks, it maintains an airy quality – imagine the crispness of starched cotton sheets layered over smooth blond wood. As it dries down, it reveals subtle floral facets that emerge like morning dew evaporating from petals, leaving behind a faint, sophisticated trail of cleanliness without soapiness.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to amplify the sun-dried cotton concept, providing structural support to the aldehydic top while preventing the composition from becoming too sharp. The molecule’s woody-musky facets help ground the fragrance.
Employed as a transparent background note to enhance the peony and pink pepper accord, adding dimensionality to the ‘white shirt’ aesthetic without introducing heavy musk character.
Works in harmony with the pear and lily notes to create the illusion of sunlight on fresh bedding, providing a clean foundation that persists through the fragrance’s evolution.
Forms the backbone of this realistic detergent accord, mimicking the lingering freshness of just-washed clothes with its combination of clean sharpness and soft persistence.
Used extensively in this fabric spray to create the signature ‘clean linen’ scent, where its stability helps maintain fragrance integrity through multiple wash cycles.
2D Molecular Structure
SMILES: CCOC(=O)C1CCC(CC1)C(=O)OCC
Chemistry, Properties & Perfumer Guide
The Chemistry
Diethyl 1,4-cyclohexane dicarboxylate belongs to the ester class of fragrance chemicals, synthesized through esterification of 1,4-cyclohexanedicarboxylic acid with ethanol. The cyclohexane ring provides structural rigidity while the ester groups contribute volatility and diffusion. Industrial synthesis typically involves acid-catalyzed reactions under controlled conditions to maximize yield of the desired trans-isomer, which exhibits superior odor characteristics compared to the cis-form. The molecule’s stability against hydrolysis makes it particularly valuable for applications requiring longevity in alkaline environments like laundry products.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | Est. 280-300 °C |
| Density | Est. 1.02-1.05 g/cm³ |
| Refractive Index | Est. 1.45-1.47 |
| Solubility | Soluble in ethanol, oils; insoluble in water |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Laundry Products | 0.5-2% | Up to 5% | Provides lasting freshness |
| Fine Fragrance | 0.1-0.5% | Up to 1% | Clean note modifier |
| Air Care | 0.2-1% | Up to 3% | Room spray base note |
| Personal Care | 0.05-0.3% | Up to 0.5% | Shower gel freshness enhancer |
Classic Accords
Tip: Use with ionones to create a ‘clean skin’ effect without soapiness.
Alternatives & Comparisons
Offers similar clean character with more pronounced fruity-floral aspects, useful when needing additional top note lift.
Provides cleaner floral aspects when a greener, more botanical interpretation of freshness is desired.
Delivers a softer, more powdery clean effect suitable for skin care applications.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply to this material (as of Amendment 51).
RIFM Assessment
RIFM has evaluated this material and found no significant safety concerns at current usage levels.
Sustainability
As a synthetic material, diethyl 1,4-cyclohexane dicarboxylate is produced through controlled chemical processes with consistent quality and minimal batch variation. The manufacturing process has relatively low environmental impact compared to some natural alternatives, with efficient catalyst recovery systems in modern production facilities. Being highly effective at low concentrations, it supports sustainable formulation by reducing the total fragrance load needed in finished products.
Explore Diethyl 1,4-cyclohexane dicarboxylate
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
References
- Bauer et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH.
- IFRA Standards Library Amendment 51 IFRA
- Sigma-Aldrich Technical Data Sheet
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 72903-27-6Physical Properties
| Molecular Weight | 228.28 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1.9🔬 PubChem |
| Boiling Point | 278 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0015 mmHg @ 25°C📊 OPERA |
| Flash Point | 141 °C🔬 EPA CompTox |
| Involatility Index | 0.0001💻 Calculated |
| log Kp (skin permeability) | -2.744💻 Calculated |
| SMILES | CCOC(=O)C1CCC(CC1)C(=O)OCC🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 4.7 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | greenwoody• 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: DTXSID0052469
Physical Properties
| Molecular Weight | 228.288 g/mol🔬 EPA CompTox |
| Density | 1.05 g/cm^3🔬 EPA CTX |
| Boiling Point | 278 °C🔬 EPA CTX |
| Melting Point | 6.027 °C📊 OPERA |
| Flash Point | 141 °C🔬 EPA CTX |
| Refractive Index | 1.46 Dimensionless📊 OPERA |
| Molar Volume | 214.692 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.825 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 2.449 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.449 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.83 Log10 unitless📊 OPERA |
| Water Solubility | 0.006 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.002 mmHg🔬 EPA CTX |
| Viscosity | 6.724 cP📊 OPERA |
| Surface Tension | 34.403 dyn/cm📊 OPERA |
| Thermal Conductivity | 139.739 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 52.6 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 4 count💻 Computed |
| Rotatable Bonds | 4 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 58.837 cm^3/mol📊 OPERA |
| Polarizability | 23.325 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.
![Methyl 4(or 1)-isopropyl-1(or 4)-methylbicyclo[2.2.2]oct-5-ene-2-carboxylate (CAS 68966-86-9) — Green Middle Note Fragrance Ingredient](https://thegoodscents.company/wp-content/uploads/2026/04/methyl-4-1-768x439.webp)
