4,8-Dimethyl-3-7-nonadien-2-ol (CAS 67845-50-5) — Citrus Top to middle Note Fragrance Ingredient
4,8-Dimethyl-3-7-nonadien-2-ol
CAS 67845-50-5
What Is 4,8-Dimethyl-3-7-nonadien-2-ol?
4,8-Dimethyl-3,7-nonadien-2-ol is a synthetic fragrance ingredient used in modern perfumery to create fresh, green, and citrusy accords. You’ll encounter it in body care products and fine fragrances where a crisp, natural effect is desired. This molecule matters because it mimics aspects of natural citrus and floral scents without relying on volatile citrus oils that fade quickly. It provides stability and longevity to bright fragrance compositions.
Safety Profile
GENERALLY SAFEWhat Does 4,8-Dimethyl-3-7-nonadien-2-ol Smell Like?
A vibrant, diffusive aroma reminiscent of freshly crushed citrus leaves with a crisp green edge. Opens with a sharp, almost lemony burst that quickly settles into a more complex heart – imagine grapefruit zest rubbed against dewy galbanum. The dry-down reveals subtle woody undertones, like the sappy greenness of broken twigs. Exceptionally tenacious for a citrus-type material, maintaining its freshness far longer than natural citrus oils while avoiding harshness.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to amplify the citrus top notes while adding structural greenness that prevents the composition from turning sweet. Provides the ‘crushed stem’ effect that makes this cologne distinctive.
Employed in the citrus-woody accord to bridge between the sharp lemon top and cedar base. Contributes to the fragrance’s signature ‘sun-drenched citrus grove’ character.
2D Molecular Structure
SMILES: CC(O)C=C(C)CCC=C(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
4,8-Dimethyl-3,7-nonadien-2-ol belongs to the family of unsaturated tertiary alcohols. While not found in nature, its structure mimics certain terpenoid compounds. Synthesized typically via Grignard reactions involving citral derivatives, followed by selective hydrogenation. The molecule’s two double bonds and tertiary alcohol group contribute to its stability and diffusive properties. The specific stereochemistry (E/Z configuration at the double bonds) significantly impacts odor profile, with most commercial material being a carefully balanced mixture of isomers.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | Approx. 220-230 °C (estimated) |
| Density | ~0.89 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Citrus-green modifier |
| Functional Products | 0.1-0.5% | Up to 1% | Freshness booster |
Classic Accords
Tip: Use to extend citrus top notes in compositions where natural citrus oils would evaporate too quickly.
Alternatives & Comparisons
For stronger lemon character but less stability. Contains aldehyde group requiring more careful handling.
When more grapefruit-like character is desired, though significantly more expensive.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted under IFRA standards. No usage limits specified.
RIFM Assessment
Not currently evaluated by RIFM. Considered low priority due to limited use volume.
Sustainability
As a synthetic material, production avoids agricultural land use. Manufactured from petrochemical precursors via efficient catalytic processes. Carbon footprint comparable to other terpenoid synthetics. No known ecological toxicity concerns at current usage levels.
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References
- Bauer et al. (2001). Modern Synthetic Methods in Perfumery. Chemistry & Biodiversity. DOI:10.1002/cbdv.200790032
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 67845-50-5Physical Properties
| Molecular Weight | 168.28 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.3🔬 PubChem |
| Boiling Point | 234 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -1.384💻 Calculated |
| SMILES | CC(C=C(C)CCC=C(C)C)O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
Odor & Flavor
| Primary Descriptors | lemonpinewoody• leffingwell |
| Functional Groups | alcoholalkene💻 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: DTXSID20867359
Physical Properties
| Molecular Weight | 168.28 g/mol🔬 EPA CompTox |
| Density | 0.869 g/cm^3📊 OPERA |
| Boiling Point | 234.5 °C🔬 EPA CTX |
| Melting Point | -2.638 °C📊 OPERA |
| Flash Point | 92.905 °C📊 OPERA |
| Refractive Index | 1.469 Dimensionless📊 OPERA |
| Molar Volume | 194.824 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.467 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.467 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.467 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.45 Log10 unitless📊 OPERA |
| Water Solubility | 0.002 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.022 mmHg📊 OPERA |
| Viscosity | 3.577 cP📊 OPERA |
| Surface Tension | 27.536 dyn/cm📊 OPERA |
| Thermal Conductivity | 140.544 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 | 54.305 cm^3/mol📊 OPERA |
| Polarizability | 21.528 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.
