Heptyl alcohol (CAS 111-70-6) — Green Top to Middle Note Fragrance Ingredient
Heptyl alcohol
CAS 111-70-6
What Is Heptyl alcohol?
Heptyl alcohol is a synthetic fragrance ingredient used to add fresh, green, and slightly floral notes to perfumes and household products. You’ll encounter it in laundry detergents, fabric softeners, and some citrus-based perfumes. This alcohol adds a crisp, clean character that helps balance sweeter or heavier ingredients in a fragrance composition.
Safety Profile
GENERALLY SAFEWhat Does Heptyl alcohol Smell Like?
Heptyl alcohol presents a fresh, slightly waxy aroma with green undertones reminiscent of young leaves. Its initial sharpness quickly evolves into a cleaner, more floral character with subtle citrusy facets. The dry-down reveals a faintly soapy quality that makes it useful for functional fragrances, though it lacks the complexity to stand alone in fine perfumery.
2D Molecular Structure
SMILES: CCCCCCCO
Chemistry, Properties & Perfumer Guide
The Chemistry
Heptyl alcohol (1-heptanol) is a straight-chain primary alcohol with seven carbon atoms. Industrially produced through hydroformylation of 1-hexene followed by hydrogenation, or via oxidation of heptane. As a medium-chain alcohol, it exhibits both hydrophilic and lipophilic properties, making it useful as a solvent and fragrance carrier. The molecule lacks chiral centers, existing as a single stereoisomer.
Physical & Chemical Properties
| Boiling Point | 176 °C |
|---|---|
| Density | 0.822 g/cm³ |
| Vapor Pressure | 0.5 mmHg at 25°C |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Functional Fragrances | 1-5% | Up to 10% | Adds freshness to cleaning products |
| Fine Fragrance | 0.5-2% | Up to 5% | Used as modifier in citrus/floral accords |
Classic Accords
Tip: Use to brighten heavy floral bases without adding excessive sweetness.
Alternatives & Comparisons
Shorter carbon chain provides sharper green notes with less waxy character.
Longer chain creates more floral, less green profile with better persistence.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under current IFRA standards.
GHS Classification
RIFM Assessment
Considered safe for current fragrance uses based on RIFM assessments.
Sustainability
Synthesized from petrochemical feedstocks, though production routes are energy-efficient. No known ecological accumulation concerns due to ready biodegradability. Not currently available from renewable sources at commercial scale.
Explore Heptyl alcohol
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References
- PubChem Compound Summary for CID 8129 PubChem CID 8129
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPerfumer’s Notes
FEMA #: 2548 | IOFI #: Nature Identical
Heptyl alcohol has a fragrant, woody, heavy, oily, faint, aromatic, fatty odor and a pungent, spicy taste.
Odor: [‘fatty’, ‘fresh’, ‘green’]
MW: 116.20
LogP: 2.7
Ingredient Data Sheet
CAS 111-70-6Physical Properties
| Molecular Weight | 116.2 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.7🔬 PubChem |
| Boiling Point | 176.1 °C🔬 EPA CompTox |
| Vapor Pressure | 0.21 mmHg @ 25°C📊 OPERA |
| Flash Point | 76.7 °C🔬 EPA CompTox |
| Involatility Index | 0.021💻 Calculated |
| log Kp (skin permeability) | -1.492💻 Calculated |
| SMILES | CCCCCCCO🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Slow💻 Calculated |
| Persistence Score | 1 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | fattyfreshgreen• leffingwell |
| Functional Groups | alcohol💻 RDKit |
| “Fresh and light, green-fatty, winy and sap-like odor of poor tenacity.”📖 Arctander | |
| Heptyl alcohol has a fragrant, woody, heavy, oily, faint, aromatic, fatty odor and a pungent, spicy taste.📖 Fenaroli | |
Flavor Notes (Arctander)
| “Sweet winy-nut-like taste. Green only in high concentration. It is also used in flavor compositions for imitation Coconut, and in various fruit complexes.”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 0.8471 ppm (n=14)📖 van Gemert |
Regulatory Status
| FEMA Number | FEMA 2548⚖️ 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: DTXSID8021937
Physical Properties
| Molecular Weight | 116.204 g/mol🔬 EPA CompTox |
| Density | 0.822 g/cm^3🔬 EPA CTX |
| Boiling Point | 177.503 °C🔬 EPA CTX |
| Melting Point | -31.325 °C🔬 EPA CTX |
| Flash Point | 72.975 °C🔬 EPA CTX |
| Refractive Index | 1.422 Dimensionless📊 OPERA |
| Molar Volume | 141.589 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.606 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 2.681 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.681 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.97 Log10 unitless📊 OPERA |
| Water Solubility | 0.015 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 0.308 mmHg🔬 EPA CTX |
| Viscosity | 4.169 cP📊 OPERA |
| Surface Tension | 27.282 dyn/cm📊 OPERA |
| Thermal Conductivity | 149.819 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 | 5 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 36.014 cm^3/mol📊 OPERA |
| Polarizability | 14.277 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.
