2,6-Dimethyl-2-octyl acetate (CAS 68480-08-0) — Sweet Top Note Fragrance Ingredient
2,6-Dimethyl-2-octyl acetate
CAS 68480-08-0
What Is 2,6-Dimethyl-2-octyl acetate?
2,6-Dimethyl-2-octyl acetate is a synthetic fragrance ingredient used to create fresh, fruity, and slightly floral notes in perfumes and scented products. It is commonly found in air fresheners, detergents, and personal care items. This compound matters because it provides a long-lasting, pleasant aroma that enhances the overall scent profile without being overpowering.
Safety Profile
GENERALLY SAFEWhat Does 2,6-Dimethyl-2-octyl acetate Smell Like?
2,6-Dimethyl-2-octyl acetate offers a crisp, fruity aroma with hints of pear and apple, layered over a subtle floral undertone. Its scent evolves from a bright, juicy top note to a smoother, slightly woody dry-down, making it versatile in fragrance compositions. The dry-down retains a clean, fresh character, ideal for modern, airy scents.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to enhance the fruity top notes, providing a long-lasting fresh effect that blends seamlessly with citrus and floral elements.
Adds a crisp, clean dimension to the fragrance, making it perfect for daytime and summer scents.
2D Molecular Structure
SMILES: CCC(C)CCCC(C)(C)OC(C)=O
Chemistry, Properties & Perfumer Guide
The Chemistry
2,6-Dimethyl-2-octyl acetate is an ester derived from the reaction of 2,6-dimethyl-2-octanol with acetic acid. It is a synthetic compound designed to mimic natural fruity and floral notes. Its molecular structure ensures stability and longevity in fragrance formulations.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 2-5% | Up to 10% | Adds fruity freshness |
| Household Products | 1-3% | Up to 5% | Provides clean scent |
Classic Accords
Tip: Use in moderation to avoid overpowering other notes.
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.
RIFM Assessment
Currently under review by RIFM for comprehensive safety assessment.
Sustainability
As a synthetic compound, 2,6-Dimethyl-2-octyl acetate is produced in controlled environments, minimizing environmental impact. Its production does not rely on natural resources, making it a sustainable choice for large-scale fragrance applications.
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References
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID70867642
Physical Properties
| Molecular Weight | 200.322 g/mol🔬 EPA CompTox |
| Density | 0.856 g/cm^3📊 OPERA |
| Boiling Point | 221.783 °C📊 OPERA |
| Melting Point | -37.281 °C📊 OPERA |
| Flash Point | 81.737 °C📊 OPERA |
| Refractive Index | 1.428 Dimensionless📊 OPERA |
| Molar Volume | 230.524 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.668 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.668 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.668 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.78 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.13 mmHg📊 OPERA |
| Viscosity | 2.029 cP📊 OPERA |
| Surface Tension | 26.288 dyn/cm📊 OPERA |
| Thermal Conductivity | 126.676 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 | 6 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 59.342 cm^3/mol📊 OPERA |
| Polarizability | 23.525 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.
