Hexanol (CAS 111-27-3) — Green Heart Note Fragrance Ingredient
Hexanol
CAS 111-27-3
What Is Hexanol?
Hexanol is a colorless alcohol with a strong, grassy-green odor. It’s found in trace amounts in some fruits and is widely used in perfumery for fresh, leafy top notes. This ingredient matters because it adds realistic vegetative nuances to fragrances, mimicking freshly cut grass or crushed leaves, enhancing naturalistic compositions.
Safety Profile
GENERALLY SAFE
What Does Hexanol Smell Like?
Hexanol bursts with an intense, sharp greenness reminiscent of freshly mown lawns and broken plant stems. The initial punch evolves into a cleaner, slightly waxy alcohol character, settling into a faint herbal whisper. Like the chlorophyll-rich juice from crushed leaves, it brings an outdoor vitality to fragrances, though requires blending to avoid dominating compositions.
Scent Profile
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Hexanol’s green intensity helps create the legendary crushed-leaf effect in this groundbreaking green floral, amplifying galbanum’s vegetal power.
Used sparingly to enhance the mango peel accord, adding realistic snapped-stem freshness to the fruity top notes.
2D Molecular Structure
SMILES: CCCCCCO
Chemistry, Properties & Perfumer Guide
The Chemistry
Hexanol is a six-carbon primary alcohol (C6H13OH) belonging to the aliphatic alcohol family. Industrially produced via hydroformylation of 1-pentene followed by hydrogenation, it’s also naturally present in tea leaves and some fruits. The molecule’s polar hydroxyl group and moderate carbon chain length give it balanced solubility properties, while the linear structure contributes to its clean green odor profile.
Physical & Chemical Properties
| Boiling Point | 157 °C |
|---|---|
| Density | 0.814 g/cm³ |
| Flash Point | 63 °C |
| Vapor Pressure | 1.3 mmHg at 25°C |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.1-0.5% | Up to 1% | Adds green top notes |
| Functional Fragrance | 0.05-0.2% | Up to 0.5% | Freshness booster |
Classic Accords
+ Citronellol + Rose Oxide = Dewy rose
Tip: Use in traces with ionones to create garden effects without harshness.
Alternatives & Comparisons
More intense ‘leaf alcohol’ with greater diffusion but shorter longevity.
Softer green-fruity alternative when less vegetal intensity is desired.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. IFRA, REACH, EU Cosmetics Regulation standards update periodically. Consult current IFRA Standards Library before formulating. Not legal or regulatory advice.
IFRA Status
No restrictions under current IFRA standards.
GHS Classification
H319 Causes serious eye irritation
RIFM Assessment
RIFM assessment confirms safe use at current industry levels.
Sustainability
Most hexanol is petroleum-derived, though bio-based production routes exist via fermentation. Synthetics avoid agricultural land use but depend on fossil feedstocks. Biodegradability is excellent (OECD 301D).
Explore Hexanol
Browse essential oils and aroma compounds.
Affiliate disclosure: we may earn a small commission at no extra cost to you.
Industry & Science Data
References
- PubChem Compound Summary for Hexanol CID 8103
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Mar 2026.
Ingredient Data Sheet
CAS 111-27-3Physical Properties
| Molecular Weight | 102.17 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2🔬 PubChem |
| Boiling Point | 157.1 °C🔬 EPA CompTox |
| Vapor Pressure | 38.78 mmHg @ 25°C📊 OPERA |
| Flash Point | 62.8 °C🔬 EPA CompTox |
| Involatility Index | 4.135💻 Calculated |
| log Kp (skin permeability) | -1.903💻 Calculated |
| SMILES | CCCCCCO🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Very fast💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | fattyfruity• leffingwell |
| Functional Groups | alcohol💻 RDKit |
| “Somewhat "chemical"-winy, slightly fatty and fruity odor, weaker than Amyl alcohol, but resembling that material, except that Hexanol seems fattier and fruitier.”📖 Arctander | |
| Hexyl alcohol has an herbaceous, woody, fragrant, mild, sweet, green fruity odor and aromatic flavor.📖 Fenaroli | |
Flavor Notes (Arctander)
| “Hexyl alcohol is used in flavor compositions, usually at very low concentration, in imitation Coconut, in Berry complexes and in various fruit flavors. The concentration in the finished product may be about 0.2 up to 25 ppm.”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 4.9973 ppm (n=16)📖 van Gemert |
Regulatory Status
| FEMA Number | FEMA 2567⚖️ FEMA GRAS |
| GRAS Status | Generally Recognized as Safe⚖️ FEMA GRAS |
| 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: DTXSID8021931
Physical Properties
| Molecular Weight | 102.177 g/mol🔬 EPA CompTox |
| Density | 0.822 g/cm^3🔬 EPA CTX |
| Boiling Point | 157.021 °C🔬 EPA CTX |
| Melting Point | -43.298 °C🔬 EPA CTX |
| Flash Point | 63.309 °C🔬 EPA CTX |
| Refractive Index | 1.416 Dimensionless📊 OPERA |
| Molar Volume | 125.082 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.02 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 1.973 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.973 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.18 Log10 unitless🔬 EPA CTX |
| Water Solubility | 0.056 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 4.677 mmHg🔬 EPA CTX |
| Viscosity | 2.921 cP📊 OPERA |
| Surface Tension | 26.59 dyn/cm📊 OPERA |
| Thermal Conductivity | 145.564 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 | 31.381 cm^3/mol📊 OPERA |
| Polarizability | 12.44 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.
![[2-Isopropoxyethyl]benzene (CAS 68039-47-4) — Floral Middle Note Fragrance Ingredient](https://thegoodscents.company/wp-content/uploads/2026/04/2-isopropoxyethyl-benzene-768x439.webp)
