2-Cyclopenten-1-one, 2-hydroxy-3,4-dimethyl- (CAS 21835-00-7) — Woody Middle Note Fragrance Ingredient
2-Cyclopenten-1-one, 2-hydroxy-3,4-dimethyl-
CAS 21835-00-7
What Is 2-Cyclopenten-1-one, 2-hydroxy-3,4-dimethyl-?
2-Cyclopenten-1-one, 2-hydroxy-3,4-dimethyl- is a synthetic aroma chemical used in fragrances to create unique, complex notes. It is found in niche perfumery and specialty formulations. This ingredient matters because it adds depth and character to fragrances, often contributing to woody or spicy accords where traditional materials fall short.
Safety Profile
USE WITH AWARENESSWhat Does 2-Cyclopenten-1-one, 2-hydroxy-3,4-dimethyl- Smell Like?
This molecule offers a intriguing olfactory profile, starting with a sharp, slightly medicinal top note that quickly evolves into a warm, woody-spicy heart. The dry-down reveals a subtle sweetness, reminiscent of aged leather or tobacco. Its complexity makes it a valuable tool for perfumers seeking to create unconventional, modern accords.
2D Molecular Structure
SMILES: CC1CC(=O)C(O)=C1C
Chemistry, Properties & Perfumer Guide
The Chemistry
2-Cyclopenten-1-one, 2-hydroxy-3,4-dimethyl- belongs to the cyclopentenone class of compounds. These molecules are characterized by a five-membered ring containing a ketone group. The hydroxyl and methyl substitutions influence both the physical properties and olfactory characteristics. Synthesis typically involves condensation reactions followed by selective oxidation and methylation steps.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Adds complexity to woody bases |
| Functional Fragrance | 0.1-1% | Up to 3% | Used in masculine accords |
Classic Accords
Tip: Use sparingly to avoid overpowering other notes.
Alternatives & Comparisons
Similar woody character but less sweet. Use when a drier effect is desired.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions identified.
RIFM Assessment
No RIFM safety assessment currently available.
Sustainability
As a synthetic material, this compound’s environmental impact depends on manufacturing processes. Being produced in controlled laboratory settings typically results in lower ecological impact than some natural alternatives.
Explore 2-Cyclopenten-1-one, 2-hydroxy-3,4-dimethyl-
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
Physicochemical Properties
DTXSID: DTXSID5051864
Physical Properties
| Molecular Weight | 126.155 g/mol🔬 EPA CompTox |
| Density | 1.071 g/cm^3📊 OPERA |
| Boiling Point | 193.941 °C📊 OPERA |
| Melting Point | 44.966 °C📊 OPERA |
| Flash Point | 77.746 °C📊 OPERA |
| Refractive Index | 1.451 Dimensionless📊 OPERA |
| Molar Volume | 121.694 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 0.581 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 0.581 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 0.581 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.56 Log10 unitless📊 OPERA |
| Water Solubility | 0.268 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.438 mmHg📊 OPERA |
| Surface Tension | 34.718 dyn/cm📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 37.3 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 0 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 32.736 cm^3/mol📊 OPERA |
| Polarizability | 12.977 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.
