2-Benzylheptanol (CAS 92368-90-6) — Floral Middle Note Fragrance Ingredient
2-Benzylheptanol
CAS 92368-90-6
What Is 2-Benzylheptanol?
2-Benzylheptanol is a synthetic fragrance ingredient used in perfumes and personal care products. It contributes to floral and woody scent profiles. This ingredient helps create long-lasting fragrances by balancing volatility and enhancing other notes.
Safety Profile
GENERALLY SAFEWhat Does 2-Benzylheptanol Smell Like?
2-Benzylheptanol offers a subtle floral character with woody undertones. It evolves from a fresh, slightly green top note to a warm, creamy heart, settling into a soft, musky base. The dry-down is smooth and persistent, making it ideal for enhancing longevity in floral and oriental compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to add a creamy, floral depth to the iconic aldehydic bouquet, enhancing its timeless elegance.
Contributes to the lush floral heart, blending seamlessly with ylang-ylang and rose for a radiant effect.
2D Molecular Structure
SMILES: CCCCCC(CO)CC1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
2-Benzylheptanol is a synthetic alcohol with a benzyl group attached to a heptanol chain. It is typically produced through Grignard reactions or hydrogenation of corresponding ketones. The molecule’s structure allows for good stability and moderate volatility, making it versatile in perfumery.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 2-5% | Up to 10% | Adds floral depth |
| Personal Care | 1-3% | Up to 5% | Enhances creaminess |
Classic Accords
Tip: Use to round off sharp floral notes and add creaminess.
Alternatives & Comparisons
A more floral alternative with less woody character, suitable for lighter compositions.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply.
RIFM Assessment
RIFM assessment confirms safety at current usage levels.
Sustainability
As a synthetic ingredient, 2-Benzylheptanol is produced with controlled environmental impact. Its synthesis avoids the need for natural resource extraction, making it a sustainable choice for modern perfumery.
Explore 2-Benzylheptanol
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References
- PubChem Compound Summary for 2-Benzylheptanol PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 92368-90-6Physical Properties
| Molecular Weight | 206.32 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 4.3🔬 PubChem |
| Boiling Point | 299.8 °C🔬 EPA CompTox |
| Vapor Pressure | 0.075 mmHg @ 25°C📊 OPERA |
| Flash Point | 151 °C🔬 EPA CompTox |
| Involatility Index | 0.0056💻 Calculated |
| log Kp (skin permeability) | -0.906💻 Calculated |
| SMILES | CCCCCC(CC1=CC=CC=C1)CO🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 2.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | floralwoody• leffingwell |
| Functional Groups | alcoholaromatic💻 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: DTXSID20869095
Physical Properties
| Molecular Weight | 206.329 g/mol🔬 EPA CompTox |
| Density | 0.941 g/cm^3🔬 EPA CTX |
| Boiling Point | 299.8 °C🔬 EPA CTX |
| Melting Point | 29.132 °C📊 OPERA |
| Flash Point | 151 °C🔬 EPA CTX |
| Refractive Index | 1.506 Dimensionless📊 OPERA |
| Molar Volume | 219.174 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 4.1 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.1 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 9.1 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.064 mmHg🔬 EPA CTX |
| Viscosity | 25.737 cP📊 OPERA |
| Surface Tension | 35.811 dyn/cm📊 OPERA |
| Thermal Conductivity | 145.63 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 | 7 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 65.093 cm^3/mol📊 OPERA |
| Polarizability | 25.805 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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