Cyclohexanecarboxylic acid, 3 methyl-, methyl ester (CAS 72903-23-2) — Woody Middle Note Fragrance Ingredient
Cyclohexanecarboxylic acid, 3 methyl-, methyl ester
CAS 72903-23-2
What Is Cyclohexanecarboxylic acid, 3 methyl-, methyl ester?
Cyclohexanecarboxylic acid, 3 methyl-, methyl ester is a synthetic fragrance ingredient used in perfumes and scented products. It contributes to fresh, woody, and slightly floral notes. This ingredient matters because it helps create long-lasting, complex scents in everything from fine fragrances to household cleaners.
Safety Profile
GENERALLY SAFEWhat Does Cyclohexanecarboxylic acid, 3 methyl-, methyl ester Smell Like?
This synthetic ester offers a crisp, woody opening with subtle floral undertones. As it evolves, the heart reveals a clean, slightly sweet character reminiscent of fresh linen. The dry-down is soft and musky, leaving a lingering impression of warmth and sophistication.
2D Molecular Structure
SMILES: COC(=O)C1CCCC(C)C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Cyclohexanecarboxylic acid, 3 methyl-, methyl ester belongs to the ester class of organic compounds. It is typically synthesized through esterification of the corresponding carboxylic acid with methanol. The methyl group at the 3-position introduces steric effects that influence both its volatility and odor characteristics.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds woody-floral complexity |
| Functional Products | 0.1-1% | Up to 3% | Provides clean background note |
Classic Accords
Tip: Use in moderation to avoid overpowering other notes.
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
Not currently assessed by RIFM.
Sustainability
As a synthetic material, this ingredient avoids agricultural impacts but depends on petrochemical feedstocks. Production typically follows green chemistry principles with high atom economy.
Explore Cyclohexanecarboxylic acid, 3 methyl-, methyl ester
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References
- PubChem Compound Summary for CID 72903-23-2 PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID101288062
Physical Properties
| Molecular Weight | 156.225 g/mol🔬 EPA CompTox |
| Density | 0.959 g/cm^3📊 OPERA |
| Boiling Point | 191.395 °C📊 OPERA |
| Melting Point | -19.958 °C📊 OPERA |
| Flash Point | 66.182 °C📊 OPERA |
| Refractive Index | 1.441 Dimensionless📊 OPERA |
| Molar Volume | 164.058 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.067 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.067 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.067 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.32 Log10 unitless📊 OPERA |
| Water Solubility | 0.008 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.445 mmHg📊 OPERA |
| Viscosity | 2.193 cP📊 OPERA |
| Surface Tension | 29.274 dyn/cm📊 OPERA |
| Thermal Conductivity | 130.909 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 | 1 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 43.329 cm^3/mol📊 OPERA |
| Polarizability | 17.177 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.
