Carvyl acetate (CAS 97-42-7) — Green Top-middle Note Fragrance Ingredient
Carvyl acetate
CAS 97-42-7
What Is Carvyl acetate?
Carvyl acetate is a synthetic fragrance ingredient with a fresh, herbaceous scent reminiscent of spearmint and caraway. It’s commonly found in household cleaners, air fresheners, and some masculine fragrances. This versatile molecule adds crispness to compositions, particularly useful for creating ‘green’ or ‘outdoorsy’ olfactory effects without using natural mint oils that can be unstable.
Safety Profile
GENERALLY SAFEWhat Does Carvyl acetate Smell Like?
Carvyl acetate bursts with an invigorating coolness—imagine crushed spearmint leaves blended with the earthy sharpness of freshly split caraway seeds. The opening is brisk and slightly metallic, like morning dew on stainless steel garden tools. As it evolves, a subtle sweetness emerges akin to chewing gum left in a sun-warmed leather jacket. Dry-down reveals faint woody undertones that linger as ghostly mint impressions—more memory than substance.
2D Molecular Structure
SMILES: CC(=O)OC1CC(CC=C1C)C(C)=C
Chemistry, Properties & Perfumer Guide
The Chemistry
Carvyl acetate belongs to the monoterpenoid ester class, synthesized via acetylation of carvone. The molecule exhibits chirality with (R)- and (S)-enantiomers, where the (R)-form typically dominates commercial production due to its sharper olfactory profile. Industrial synthesis often starts from limonene through selective oxidation pathways. The acetate group enhances stability compared to its alcohol precursor, making it valuable for functional fragrance applications.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Functional Fragrances | 0.5-2% | Up to 5% | Provides clean freshness |
| Fine Fragrance | 0.1-0.5% | Up to 1% | Used as green modifier |
Classic Accords
Tip: Use with citrus top notes to prevent harshness in functional applications.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under current IFRA standards (as of Amendment 51).
EU Allergen Declaration
Not listed in EU Annex III allergen declaration requirements.
RIFM Assessment
RIFM assessment completed in 2018 – no significant safety concerns at typical usage levels.
Sustainability
As a synthetic material, carvyl acetate avoids agricultural impacts but relies on petrochemical feedstocks. Modern production methods achieve >90% atom efficiency. Biocatalytic routes from renewable resources are under development but not yet commercially viable.
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Ingredient Data Sheet
CAS 97-42-7Physical Properties
| Molecular Weight | 194.27 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.6🔬 PubChem |
| Boiling Point | 77.2 °C🔬 EPA CompTox |
| Flash Point | 97.2 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -2.039💻 Calculated |
| SMILES | CC1=CCC(CC1OC(=O)C)C(=C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
Odor & Flavor
| Primary Descriptors | fruitygreenherbalsweet• leffingwell |
| Functional Groups | esteretheralkene💻 RDKit |
| Carvyl acetate has a characteristic odor reminiscent of spearmint.📖 Fenaroli | |
Sensory Thresholds
| Odor Detection Threshold | 0.0015 ppm📖 van Gemert |
Regulatory Status
| IFRA Listed | Yes — see IFRA Standards for category limits⚖️ IFRA 51 |
| IOFI Classification | Nature Identical📖 Fenaroli |
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: DTXSID3024738
Physical Properties
| Molecular Weight | 194.274 g/mol🔬 EPA CompTox |
| Density | 0.972 g/cm^3🔬 EPA CTX |
| Boiling Point | 257.661 °C📊 OPERA |
| Melting Point | 11.107 °C📊 OPERA |
| Flash Point | 97.222 °C🔬 EPA CTX |
| Refractive Index | 1.475 Dimensionless📊 OPERA |
| Molar Volume | 201.035 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.757 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.757 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.757 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.72 Log10 unitless📊 OPERA |
| Water Solubility | 0.009 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.023 mmHg📊 OPERA |
| Viscosity | 5.16 cP📊 OPERA |
| Surface Tension | 30.326 dyn/cm📊 OPERA |
| Thermal Conductivity | 129.258 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 | 2 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 56.595 cm^3/mol📊 OPERA |
| Polarizability | 22.436 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.
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