2,4-Dimethylbenzyl acetate (CAS 62346-96-7) — Floral Top to Middle Note Fragrance Ingredient
2,4-Dimethylbenzyl acetate
CAS 62346-96-7
What Is 2,4-Dimethylbenzyl acetate?
2,4-Dimethylbenzyl acetate is a synthetic fragrance ingredient used to add fresh, floral, and slightly fruity nuances to perfumes and scented products. You’ll encounter it in body washes, fabric softeners, and some floral perfumes. This versatile molecule helps create bright opening notes and enhances the naturalness of floral compositions without relying on expensive natural extracts.
Safety Profile
GENERALLY SAFEWhat Does 2,4-Dimethylbenzyl acetate Smell Like?
2,4-Dimethylbenzyl acetate opens with a crisp, clean floralcy reminiscent of lily-of-the-valley with a subtle pear-like fruitiness. The initial burst evolves into a soft jasmine-like heart, carrying a delicate powderiness that prevents it from becoming cloying. In drydown, it reveals a whisper of green freshness, like the stem of a freshly picked flower. Unlike simpler floral esters, it maintains dimensional character for hours, never flattening into a single note. The overall effect is like sunlight filtering through a bouquet of spring flowers – bright yet nuanced.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to amplify the peony and lily notes while adding diffusion to the top notes. Its moderate volatility helps bridge the citrus opening to the floral heart.
Provides the dewy freshness in this modern floral, enhancing the lilac and peony accord while preventing the white flowers from becoming heavy.
Contributes to the aquatic floralcy, adding a crisp floral lift to the lotus and melon notes without competing with the dominant calone.
Works synergistically with orange blossom absolute to create the illusion of a living flower rather than a photorealistic reconstruction.
2D Molecular Structure
SMILES: CC(=O)OCC1=CC=C(C)C=C1C
Chemistry, Properties & Perfumer Guide
The Chemistry
2,4-Dimethylbenzyl acetate is an aromatic ester derived from xylene. The dimethyl substitution pattern on the benzene ring creates steric hindrance that slows hydrolysis compared to simpler benzyl esters, contributing to its stability in formulations. Industrially produced via Friedel-Crafts alkylation of xylene followed by esterification, this synthetic route allows precise control over isomeric purity. The 2,4- substitution pattern is critical for its odor profile – the 3,4-isomer lacks the same floral character. Unlike many floral esters, it maintains good stability in alkaline media up to pH 8.5.
Physical & Chemical Properties
| Boiling Point | 245-250 °C |
|---|---|
| Flash Point | >100 °C |
| Density | 0.98-1.02 g/cm³ |
| Refractive Index | 1.492-1.496 |
| Solubility | Soluble in alcohol, oils; insoluble in water |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Floral modifier and diffuser |
| Soap/Detergent | 0.2-0.8% | Up to 1.5% | Stable in alkaline systems |
| Fabric Care | 0.05-0.3% | Up to 0.5% | Provides linen freshness |
Classic Accords
Tip: Use with ionones to create more natural-seeming floral bouquets – it fills the ‘gaps’ between violet and rose notes.
Alternatives & Comparisons
Simpler, more cost-effective but lacks the dimensional character and stability of the dimethyl derivative. Better for straightforward jasmine effects.
Offers similar floralcy with added honeyed nuances, though with less diffusion power and slightly heavier character.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions – listed on IFRA Transparency List with no usage limits.
RIFM Assessment
RIFM assessment completed 2018 – no safety concerns at current usage levels.
Sustainability
As a synthetic material, production avoids agricultural land use and seasonal variability. The xylene feedstock typically comes from petroleum refining byproducts, though some manufacturers now use bio-derived aromatics. Energy-intensive Friedel-Crafts chemistry requires careful solvent recovery systems. No known aquatic toxicity concerns at disposal concentrations.
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References
- Arctander, S. (1969). Perfume and Flavor Chemicals. Montclair, NJ.
- IFRA Transparency List (2023). Link
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 62346-96-7Physical Properties
| Molecular Weight | 178.23 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.3🔬 PubChem |
| Boiling Point | 243 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0347 mmHg @ 25°C📊 OPERA |
| Flash Point | 104.2 °C🔬 EPA CompTox |
| Involatility Index | 0.0028💻 Calculated |
| log Kp (skin permeability) | -2.154💻 Calculated |
| SMILES | CC1=CC(=C(C=C1)COC(=O)C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 2.4 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | floralfreshfruitysweet• leffingwell |
| Functional Groups | esteretheraromatic💻 RDKit |
| “Powerful, sweet-floral, rather fresh and somewhat fruity odor of moderate tenacity.”📖 Arctander | |
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: DTXSID8052302
Physical Properties
| Molecular Weight | 178.231 g/mol🔬 EPA CompTox |
| Density | 1.015 g/cm^3📊 OPERA |
| Boiling Point | 245.579 °C📊 OPERA |
| Melting Point | 28.379 °C📊 OPERA |
| Flash Point | 101.97 °C📊 OPERA |
| Refractive Index | 1.505 Dimensionless📊 OPERA |
| Molar Volume | 174.79 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.871 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.871 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.871 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.74 Log10 unitless📊 OPERA |
| Water Solubility | 0.004 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.022 mmHg📊 OPERA |
| Viscosity | 5.689 cP📊 OPERA |
| Surface Tension | 34.68 dyn/cm📊 OPERA |
| Thermal Conductivity | 134.055 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 | 51.86 cm^3/mol📊 OPERA |
| Polarizability | 20.559 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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