Hexanol (CAS 111-27-3) — Green Heart Note Fragrance Ingredient

ByThe Good Scents




Hexanol

CAS 111-27-3

Origin
Note
IFRA
Generally safe
Data as of: Mar 2026

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

Generally safeUse with awarenessProfessional use
✓ Safe in regulated products
⚠ Mild skin irritant at high concentrations
CAS
111-27-3
Formula
Mixture
MW
Variable
Odor Family
Layer 1 · Enthusiast

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.

Vent Vert(Balmain, 1947)

Hexanol’s green intensity helps create the legendary crushed-leaf effect in this groundbreaking green floral, amplifying galbanum’s vegetal power.

Un Jardin Sur Le Nil(Hermès, 2005)

Used sparingly to enhance the mango peel accord, adding realistic snapped-stem freshness to the fruity top notes.

Layer 2

2D Molecular Structure

1-Hexanol

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

Note Position
Top
Volatility
High (15-30 min)
Blending
Good (requires moderation)
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

+ Galbanum + Violet Leaf = Ultimate green
+ Citronellol + Rose Oxide = Dewy rose

Tip: Use in traces with ionones to create garden effects without harshness.

Alternatives & Comparisons

1
cis-3-Hexenol CAS 928-96-1

More intense ‘leaf alcohol’ with greater diffusion but shorter longevity.

2
Hexyl Acetate CAS 142-92-7

Softer green-fruity alternative when less vegetal intensity is desired.

Layer 3

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

H315 Causes skin irritation
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

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Industry & Science Data

Odor Detection Threshold
500 ppb
in air (orthonasal)
Ref: van Gemert, Odour Thresholds (2011)
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References

  1. PubChem Compound Summary for Hexanol CID 8103

Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Mar 2026.

Report a data error

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.

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