alpha-Methylbenzyl acetate (CAS 93-92-5) — Sweet Heart Note Fragrance Ingredient
alpha-Methylbenzyl acetate
CAS 93-92-5
What Is alpha-Methylbenzyl acetate?
Alpha-Methylbenzyl acetate is a synthetic fragrance ingredient used to add fruity, floral, and slightly woody notes to perfumes and personal care products. It’s commonly found in body sprays, soaps, and fine fragrances. This versatile molecule helps create the illusion of natural aromas while providing stability and longevity that natural extracts often lack.
Safety Profile
GENERALLY SAFEWhat Does alpha-Methylbenzyl acetate Smell Like?
Alpha-Methylbenzyl acetate greets the nose with a bright, fruity character reminiscent of ripe pears dipped in honey, with subtle floral undertones of jasmine tea. As it evolves, a creamy lactonic quality emerges, like the aroma of warm milk with a drop of orange blossom water. The dry-down reveals a delicate woody nuance, akin to freshly sanded birch wood lightly kissed by morning dew. This multifaceted material behaves like a chameleon – in citrus compositions it adds juiciness, while in floral bouquets it provides a silky, petal-like softness.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a modifier for the iconic aldehyde bouquet, adding a fruity-floral bridge between the sparkling top notes and voluptuous heart.
Enhances the peony and orchid accord with a dewy fruitiness that makes the floral bouquet more luminous and contemporary.
Provides an invisible fruity lift to the citrus top notes, helping the lemon accord smell juicier and more natural.
Works synergistically with the vanilla and praline base to create a gourmand-floral effect that’s sweet but never cloying.
Softens the patchouli base with fruity nuances that make the oriental composition more wearable and modern.
2D Molecular Structure
SMILES: CC(OC(C)=O)C1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Alpha-Methylbenzyl acetate is an ester formed by the reaction of alpha-methylbenzyl alcohol (1-phenylethanol) with acetic acid. This chiral molecule exists as two enantiomers, with the (R)-form typically exhibiting a more pronounced floral character while the (S)-form leans fruitier. Industrial synthesis often involves acid-catalyzed esterification or enzymatic processes for enantioselective production. The compound’s stability under various pH conditions makes it valuable for cosmetic formulations. Its molecular structure features both aromatic and aliphatic regions, allowing it to bridge different odor families in fragrance compositions.
Physical & Chemical Properties
| Boiling Point | 208-210 °C |
|---|---|
| Density | 1.023 g/cm³ at 20°C |
| Refractive Index | 1.493-1.497 at 20°C |
| Flash Point | 92 °C |
| Vapor Pressure | 0.1 mmHg at 20°C |
| Solubility | Soluble in alcohol, oils; slightly soluble in water |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-3% | Up to 5% | Fruity-floral modifier |
| Soaps | 0.1-0.5% | Up to 1% | Boosts fruity character |
| Detergents | 0.01-0.1% | Up to 0.3% | Adds freshness |
| Candles | 0.3-1% | Up to 2% | Enhances throw |
Classic Accords
Tip: Use as a 10% dilution when first experimenting to better gauge its effect in complex blends.
Alternatives & Comparisons
More floral and less fruity, with stronger jasmine character. Higher volatility makes it better for top notes.
Offers similar fruity-floral effects but with a rosier, honeyed quality and better longevity in the base.
More straightforward fruity pear note without the floral complexity, useful for simpler fruity compositions.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under current IFRA standards (Amendment 49).
RIFM Assessment
RIFM assessment confirms safe use at current industry levels with margins of safety >100 for all endpoints.
Sustainability
As a synthetic material, alpha-methylbenzyl acetate avoids agricultural land use and seasonal variability. Modern production methods have reduced energy consumption by 40% compared to 1990s processes. While derived from petrochemical precursors, its high odor potency means minimal quantities are needed, reducing overall environmental impact compared to some natural alternatives.
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References
- Bauer et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH.
- Sell, C. (2006). The Chemistry of Fragrances. RSC Publishing.
- IFRA Standards Library (2021). Amendment 49. IFRA
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 93-92-5Physical Properties
| Molecular Weight | 164.2 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2🔬 PubChem |
| Boiling Point | 94 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0413 mmHg @ 25°C📊 OPERA |
| Flash Point | 92.5 °C🔬 EPA CompTox |
| Involatility Index | 0.0035💻 Calculated |
| log Kp (skin permeability) | -2.282💻 Calculated |
| SMILES | CC(C1=CC=CC=C1)OC(=O)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 2.1 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | floralsweet• leffingwell |
| Functional Groups | esteretheraromatic💻 RDKit |
| “Powerful and penetrating, green-floral, in dilution more fruity odor of moderate to poor tenacity.”📖 Arctander | |
| a-Methylbenzyl acetate has an intensive green odor suggestive of gardenia and a bitter, acrid taste, interesting on dilution.📖 Fenaroli | |
Flavor Notes (Arctander)
| “The ester finds extensive use in flavor compositions, particularly the "sharp"-fruity types, Pineapple, Apricot, Gooseberry, Apple, but also in Plum, Peach and many berry or fruit complexes. Peculiar tart-fruity, green berry-fruity taste in dilutions below 20 ppm.”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 0.16 ppm📖 van Gemert |
Regulatory Status
| FEMA Number | FEMA 2684⚖️ FEMA GRAS |
| GRAS Status | Generally Recognized as Safe⚖️ FEMA GRAS |
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: DTXSID6041636
Physical Properties
| Molecular Weight | 164.204 g/mol🔬 EPA CompTox |
| Density | 1.027 g/cm^3🔬 EPA CTX |
| Boiling Point | 224.925 °C🔬 EPA CTX |
| Melting Point | 8.775 °C📊 OPERA |
| Flash Point | 144.367 °C🔬 EPA CTX |
| Refractive Index | 1.499 Dimensionless📊 OPERA |
| Molar Volume | 159.495 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.5 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 2.508 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.508 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5 Log10 unitless📊 OPERA |
| Water Solubility | 7.734 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.041 mmHg🔬 EPA CTX |
| Viscosity | 3.298 cP📊 OPERA |
| Surface Tension | 34.374 dyn/cm📊 OPERA |
| Thermal Conductivity | 137.035 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 | 1 count💻 Computed |
| Molar Refractivity | 46.845 cm^3/mol📊 OPERA |
| Polarizability | 18.571 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.
