Hexyl benzoate (CAS 6789-88-4) — Sweet Middle Note Fragrance Ingredient
Hexyl benzoate
CAS 6789-88-4
What Is Hexyl benzoate?
Hexyl benzoate is a synthetic ester used as a fragrance ingredient in perfumes and personal care products. It contributes a mild, sweet, and slightly floral aroma. You’ll encounter it in body lotions, soaps, and fine fragrances. This ingredient matters because it helps stabilize volatile top notes and adds a subtle fruity nuance to scent compositions without overpowering other elements.
Safety Profile
GENERALLY SAFEWhat Does Hexyl benzoate Smell Like?
Hexyl benzoate presents as a delicate, honeyed floral with whispers of ripe pear and a waxy undertone reminiscent of lipstick. The scent unfolds like a watercolor – initially diffuse and slightly green, then settling into a soft, powdery sweetness that lingers close to the skin. Unlike sharper esters, it lacks the banana-like punch, instead offering a refined, almost velvety quality that blends seamlessly with both citrus and woody notes.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a subtle fixative to enhance the floral bouquet without competing with the aldehydic sparkle.
Provides a smooth fruity-floral bridge between the bright mandarin top and rich ylang-ylang heart.
2D Molecular Structure
SMILES: CCCCCCOC(=O)C1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Hexyl benzoate is an ester formed from hexanol and benzoic acid. Industrially produced via Fischer esterification, this colorless liquid exhibits excellent stability in cosmetic formulations. The hexyl chain provides sufficient hydrophobicity for skin substantivity while the aromatic ring contributes to the material’s diffusion properties. Its relatively simple structure makes it a workhorse ingredient for creating volume in floral accords.
Physical & Chemical Properties
| Boiling Point | 272 °C |
|---|---|
| Density | 0.973 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Background floral enhancer |
| Personal Care | 0.5-2% | Up to 3% | Mild scent stabilizer |
Classic Accords
Tip: Use to round off sharp edges in citrus or herbal compositions.
Alternatives & Comparisons
When a more balsamic, honeyed character is desired with better fixative properties.
For greener, more herbaceous floral effects with similar substantivity.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted under IFRA standards.
RIFM Assessment
RIFM safety assessment confirms safe usage at current levels.
Sustainability
Synthesized from petrochemical feedstocks, hexyl benzoate represents a more sustainable choice than some natural alternatives due to consistent quality and lower production energy requirements. Its stability reduces reformulation needs, minimizing waste. Future green chemistry approaches may enable bio-based production from renewable resources.
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References
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 6789-88-4Physical Properties
| Molecular Weight | 206.28 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 4.9🔬 PubChem |
| Boiling Point | 272.2 °C🔬 EPA CompTox |
| Vapor Pressure | 32 mmHg @ 25°C📊 OPERA |
| Flash Point | 93.3 °C🔬 EPA CompTox |
| Involatility Index | 2.4013💻 Calculated |
| log Kp (skin permeability) | -0.479💻 Calculated |
| SMILES | CCCCCCOC(=O)C1=CC=CC=C1🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Fast💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | balsamicfloralgreenherbalwoody• leffingwell |
| Functional Groups | esteretheraromatic💻 RDKit |
| “Woody-green, piney-balsamic odor with sweet-herbaceous undertones. The odor has been compared to that of "freshly decorticated Cypress twigs" (material ready for distillation).”📖 Arctander | |
| Hexyl benzoate has a woody-green, piney, balsamic odor.📖 Fenaroli | |
Regulatory Status
| IOFI Classification | Nature Identical📖 Fenaroli |
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: DTXSID9025403
Physical Properties
| Molecular Weight | 206.28 g/mol🔬 PubChem |
| Density | 0.979 g/cm^3🔬 PubChem |
| Boiling Point | 272.2 °C🔬 PubChem |
| Flash Point | 93.3 °C🔬 PubChem |
Partition & Solubility
| LogP (Octanol-Water) | 4.9 Log10 unitless🔬 PubChem |
Transport Properties
| Vapor Pressure | 32 mmHg🔬 PubChem |
Molecular Descriptors
| Topological Polar Surface Area | 26.3 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 6 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 60.87 cm^3/mol💻 Computed |
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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