2,6-Dimethyl-2-heptanol (CAS 13254-34-7) — Woody Middle Note Fragrance Ingredient
2,6-Dimethyl-2-heptanol
CAS 13254-34-7
What Is 2,6-Dimethyl-2-heptanol?
2,6-Dimethyl-2-heptanol is a synthetic alcohol used in fragrances for its fresh, woody scent. It’s commonly found in household cleaners and industrial perfumes. This ingredient matters because it provides a cost-effective alternative to natural woody notes, offering stability and consistency in formulations where natural extracts might vary.
Safety Profile
GENERALLY SAFEWhat Does 2,6-Dimethyl-2-heptanol Smell Like?
2,6-Dimethyl-2-heptanol has a fresh, woody aroma with subtle floral undertones. It evolves from a crisp, slightly green opening to a soft, woody dry-down. The scent is reminiscent of freshly cut timber with a clean, slightly sweet finish. Its behavior in fragrance blends is stable, making it a reliable middle note.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used for its fresh, woody note that blends seamlessly with other synthetic and natural ingredients, providing a modern twist on traditional woody accords.
2D Molecular Structure
SMILES: CC(C)CCCC(C)(C)O
Chemistry, Properties & Perfumer Guide
The Chemistry
2,6-Dimethyl-2-heptanol is a branched-chain alcohol. It is synthesized through hydroformylation of diisobutylene followed by hydrogenation. This synthetic route ensures high purity and consistency, making it a preferred choice in industrial applications. The molecule’s structure contributes to its stability and mild odor profile.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds woody freshness |
| Household Cleaners | 0.5-2% | Up to 5% | Provides clean, woody note |
Classic Accords
Tip: Use in blends where a stable, woody note is needed without the variability of natural extracts.
Alternatives & Comparisons
When a more floral, less woody note is desired, linalool offers a similar alcohol functionality with a different odor profile.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under IFRA standards.
EU Allergen Declaration
Not listed as an EU allergen.
RIFM Assessment
No significant safety concerns identified by RIFM.
Sustainability
As a synthetic ingredient, 2,6-Dimethyl-2-heptanol is produced with consistent quality and minimal environmental impact compared to natural extracts. Its production avoids the need for agricultural land and reduces variability in supply chains.
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References
- PubChem. 2,6-Dimethyl-2-heptanol. PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 13254-34-7Physical Properties
| Molecular Weight | 144.25 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.7🔬 PubChem |
| Boiling Point | 173 °C🔬 EPA CompTox |
| Vapor Pressure | 0.7943 mmHg @ 25°C📊 OPERA |
| Flash Point | 70 °C🔬 EPA CompTox |
| Involatility Index | 0.0713💻 Calculated |
| log Kp (skin permeability) | -1.663💻 Calculated |
| SMILES | CC(C)CCCC(C)(C)O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Slow💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | citrusfloralfresh• leffingwell |
| Functional Groups | alcohol💻 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: DTXSID6041424
Physical Properties
| Molecular Weight | 144.258 g/mol🔬 EPA CompTox |
| Density | 0.813 g/cm^3🔬 EPA CTX |
| Boiling Point | 175.775 °C🔬 EPA CTX |
| Melting Point | -10 °C🔬 EPA CTX |
| Flash Point | 64.717 °C🔬 EPA CTX |
| Refractive Index | 1.43 Dimensionless📊 OPERA |
| Molar Volume | 175.027 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.925 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.925 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.925 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.86 Log10 unitless📊 OPERA |
| Water Solubility | 0.005 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.212 mmHg🔬 EPA CTX |
| Viscosity | 4.712 cP📊 OPERA |
| Surface Tension | 25.825 dyn/cm📊 OPERA |
| Thermal Conductivity | 131.345 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 20.23 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 4 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 45.204 cm^3/mol📊 OPERA |
| Polarizability | 17.92 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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