(+/-)-Dihydrofarnesol (CAS 51411-24-6) — Floral Middle Note Fragrance Ingredient
(+/-)-Dihydrofarnesol
CAS 51411-24-6
What Is (+/-)-Dihydrofarnesol?
(+/-)-Dihydrofarnesol is a synthetic fragrance ingredient used to add floral and citrus nuances to perfumes and personal care products. It’s commonly found in body washes, shampoos, and fine fragrances. This versatile material helps create fresh, clean scent profiles while enhancing the performance of other floral ingredients in modern fragrance compositions.
Safety Profile
GENERALLY SAFEWhat Does (+/-)-Dihydrofarnesol Smell Like?
Dihydrofarnesol presents a delicate floral character with subtle citrus undertones, reminiscent of lily-of-the-valley petals brushed with lemon zest. The scent evolves from a bright, slightly green opening to a soft floral heart that lingers with a clean, soapy dry-down. Its tenacity is moderate, serving as a bridge between top and middle notes in compositions. The racemic mixture offers balanced floralcy without the sharpness found in some farnesol derivatives.
2D Molecular Structure
SMILES: CC(CCO)CCC=C(C)CCC=C(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
Dihydrofarnesol is a sesquiterpenoid alcohol, structurally related to farnesol but with reduced double bonds. The racemic (+/-) form is commonly used in fragrance applications. It’s produced synthetically through hydrogenation of farnesol or via chemical synthesis from simpler terpene precursors. The molecule lacks chirality centers in its reduced form, making the racemic mixture identical in odor profile to either enantiomer.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Floral modifier |
| Personal Care | 0.5-2% | Up to 3% | Clean floral effect |
Classic Accords
Tip: Use to soften harsh floral notes and add diffusion to citrus-heavy compositions.
Alternatives & Comparisons
More pronounced floral character with greater tenacity, but may cause skin sensitivity in some individuals.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA standards.
RIFM Assessment
No specific RIFM assessment found for this material.
Sustainability
As a synthetic material, dihydrofarnesol production avoids natural resource depletion. Modern synthesis routes aim for atom economy and reduced solvent use. Being petroleum-derived, its environmental impact depends on manufacturing practices and energy sources used in production.
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Ingredient Data Sheet
CAS 51411-24-6Physical Properties
| Molecular Weight | 224.38 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 5.1🔬 PubChem |
| Boiling Point | 297 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0025 mmHg @ 25°C📊 OPERA |
| Flash Point | 118.9 °C🔬 EPA CompTox |
| Involatility Index | 0.0002💻 Calculated |
| log Kp (skin permeability) | -0.448💻 Calculated |
| SMILES | CC(CCC=C(C)CCC=C(C)C)CCO🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 6.4 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | floral• 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: DTXSID40885954
Physical Properties
| Molecular Weight | 224.388 g/mol🔬 EPA CompTox |
| Density | 0.858 g/cm^3📊 OPERA |
| Boiling Point | 300.096 °C📊 OPERA |
| Melting Point | 31.529 °C📊 OPERA |
| Flash Point | 111.896 °C📊 OPERA |
| Refractive Index | 1.47 Dimensionless📊 OPERA |
| Molar Volume | 260.851 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 5.111 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 5.111 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 5.111 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.84 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.001 mmHg📊 OPERA |
| Viscosity | 11.948 cP📊 OPERA |
| Surface Tension | 28.532 dyn/cm📊 OPERA |
| Thermal Conductivity | 145.589 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 | 8 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 72.836 cm^3/mol📊 OPERA |
| Polarizability | 28.875 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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