2,6-Dimethyl-4-heptanol (CAS 108-82-7) — Green Middle Note Fragrance Ingredient
2,6-Dimethyl-4-heptanol
CAS 108-82-7
What Is 2,6-Dimethyl-4-heptanol?
2,6-Dimethyl-4-heptanol is a synthetic alcohol used in perfumery to create fresh, green, and slightly woody scent profiles. It’s commonly found in household cleaners, air fresheners, and some citrus-based fragrances. This ingredient matters because it adds a crisp, clean character to compositions while being cost-effective and stable in formulations.
Safety Profile
GENERALLY SAFEWhat Does 2,6-Dimethyl-4-heptanol Smell Like?
2,6-Dimethyl-4-heptanol presents a fresh, green aroma with subtle woody undertones. Imagine crushed stems after rainfall – that initial burst of chlorophyll-like greenness gradually softening into a clean, slightly sweet woodiness. It lacks the harshness of some synthetic alcohols, instead offering a rounded character that blends well with citrus and herbal notes. The dry-down is surprisingly persistent for its molecular weight, leaving a faint trace of polished wood surfaces.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a green modifier to enhance the citrus-herbal freshness, contributing to the fragrance’s iconic crispness without overpowering the natural citrus oils.
Helps bridge the violet leaf and sandalwood notes, adding a transparent green quality that prevents the composition from becoming too heavy.
2D Molecular Structure
SMILES: CC(C)CC(O)CC(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
2,6-Dimethyl-4-heptanol is a branched-chain aliphatic alcohol. As a synthetic material, it’s typically produced through hydroformylation of diisobutylene followed by hydrogenation. The branching at positions 2 and 6 creates steric hindrance that affects both its volatility and odor characteristics. While not chiral itself, its structure influences how it interacts with chiral receptors in olfaction.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Green modifier |
| Functional Fragrances | 0.5-2% | Up to 3% | Clean, fresh character |
Classic Accords
Tip: Use to add transparency to heavy green notes without increasing harshness.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions apply
RIFM Assessment
Considered safe for current use levels based on RIFM data.
Sustainability
As a synthetic material, 2,6-Dimethyl-4-heptanol has minimal environmental impact in production. Its efficient synthesis from petrochemical feedstocks makes it more sustainable than some natural alternatives requiring agricultural land use. The material’s stability reduces formulation waste.
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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 errorPhysicochemical Properties
DTXSID: DTXSID8026802
Physical Properties
| Molecular Weight | 144.258 g/mol🔬 EPA CompTox |
| Density | 0.811 g/cm^3🔬 EPA CTX |
| Boiling Point | 176.33 °C🔬 EPA CTX |
| Melting Point | -65 °C🔬 EPA CTX |
| Flash Point | 68.852 °C🔬 EPA CTX |
| Refractive Index | 1.427 Dimensionless📊 OPERA |
| Molar Volume | 175.732 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.13 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 3.178 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.178 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.82 Log10 unitless📊 OPERA |
| Water Solubility | 0.004 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 0.979 mmHg🔬 EPA CTX |
| Viscosity | 4.058 cP📊 OPERA |
| Surface Tension | 25.366 dyn/cm📊 OPERA |
| Thermal Conductivity | 131.985 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 | 45.156 cm^3/mol📊 OPERA |
| Polarizability | 17.901 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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