Benzenemethanol, alpha-methylene-, acetate (CAS 2206-94-2) — Floral Top to middle Note Fragrance Ingredient
Benzenemethanol, alpha-methylene-, acetate
CAS 2206-94-2
What Is Benzenemethanol, alpha-methylene-, acetate?
Benzenemethanol, alpha-methylene-, acetate is a synthetic fragrance ingredient used in perfumery to add floral and green nuances. You might encounter it in fine fragrances, soaps, and household products. This molecule helps create fresh, natural-smelling floral accords without relying on natural extracts.
Safety Profile
USE WITH AWARENESSWhat Does Benzenemethanol, alpha-methylene-, acetate Smell Like?
This synthetic molecule opens with a crisp, green floral character reminiscent of lily-of-the-valley and fresh stems. The initial sharpness settles into a soft, powdery floral heart with subtle honeyed undertones. In drydown, it leaves a clean, slightly musky trail that blends well with woody bases. The overall effect is like a dewy morning in a flower garden, with more tenacity than many natural floral absolutes.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a synthetic lily-of-the-valley note to complement the natural muguet absolute, providing stability and diffusion to this iconic floral bouquet.
Adds a fresh green-floral facet to the rose heart, creating the signature ‘petal crunch’ effect in this modern romantic fragrance.
2D Molecular Structure
SMILES: CC(=O)OC(=C)C1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Benzenemethanol, alpha-methylene-, acetate belongs to the aromatic alcohol ester class. While not found in nature, it mimics structural elements of phenylpropanoids found in floral scents. Industrially synthesized through acetylation of the corresponding benzyl alcohol derivative, it exhibits good stability across pH ranges. The molecule’s planar aromatic ring contributes to its tenacity, while the ester group provides volatility for top-note performance.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | ~250 °C (estimated) |
| Density | ~1.05 g/cm³ (estimated) |
| Solubility | Soluble in alcohol, oils; insoluble in water |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 8% | Floral modifier |
| Soap | 0.5-2% | Up to 3% | Provides stable floral character |
| Detergents | 0.1-0.5% | Up to 1% | Cost-effective floral lift |
Classic Accords
Tip: Use with citrus top notes to prevent excessive sharpness in floral compositions.
Alternatives & Comparisons
When a more intense lily-aldehyde character is needed, though being phased out due to allergen concerns.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted under any IFRA amendment.
RIFM Assessment
RIFM has reviewed this material and found no significant safety concerns at current usage levels.
Sustainability
As a synthetic material, this ingredient reduces pressure on natural floral resources. Production typically uses petrochemical feedstocks, though some manufacturers are exploring bio-based routes. Its efficiency in formulations means lower concentrations are needed compared to some natural extracts.
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References
- Bauer et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 2206-94-2Physical Properties
| Molecular Weight | 162.18 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.2🔬 PubChem |
| Boiling Point | 245 °C🔬 EPA CompTox |
| Vapor Pressure | 0.1034 mmHg @ 25°C📊 OPERA |
| Flash Point | 107 °C🔬 EPA CompTox |
| Involatility Index | 0.0088💻 Calculated |
| log Kp (skin permeability) | -2.127💻 Calculated |
| SMILES | CC(=O)OC(=C)C1=CC=CC=C1🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 1.6 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | floralgreen• leffingwell |
| Functional Groups | esteretheralkenearomatic💻 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: DTXSID0051865
Physical Properties
| Molecular Weight | 162.188 g/mol🔬 EPA CompTox |
| Density | 1.068 g/cm^3🔬 EPA CTX |
| Boiling Point | 243.24 °C📊 OPERA |
| Melting Point | -20.15 °C🔬 EPA CTX |
| Flash Point | 107 °C🔬 EPA CTX |
| Refractive Index | 1.516 Dimensionless📊 OPERA |
| Molar Volume | 155.235 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.01 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 2.418 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.418 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.07 Log10 unitless📊 OPERA |
| Water Solubility | 0.008 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.091 mmHg🔬 EPA CTX |
| Viscosity | 2.99 cP📊 OPERA |
| Surface Tension | 34.743 dyn/cm📊 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 | 1 count💻 Computed |
| Molar Refractivity | 46.86 cm^3/mol📊 OPERA |
| Polarizability | 18.577 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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