Heptanoic acid (CAS 111-14-8) — Balsamic Middle Note Fragrance Ingredient
Heptanoic acid
CAS 111-14-8
What Is Heptanoic acid?
Heptanoic acid is a synthetic fatty acid occasionally used in fragrances to add cheesy or sweaty nuances. It’s found in trace amounts in some dairy products and body odors. While not common in mainstream perfumery, it plays a role in creating realistic animalic or fermented notes when carefully blended.
Safety Profile
USE WITH AWARENESSWhat Does Heptanoic acid Smell Like?
Heptanoic acid delivers a pungent, cheesy-sweaty odor reminiscent of aged dairy or unwashed skin. At full strength it’s aggressively animalic, but when diluted it contributes a fermented, slightly nutty complexity. The sharp acidity dominates initially, mellowing into a persistent fatty warmth. Unlike shorter-chain acids, it lacks complete volatility, leaving a lingering waxy residue that can anchor other notes.
2D Molecular Structure
SMILES: CCCCCCC(O)=O
Chemistry, Properties & Perfumer Guide
The Chemistry
Heptanoic acid (C7H14O2) is a medium-chain carboxylic acid produced industrially via oxidation of heptanal or through fractional distillation of mixed fatty acids. Unlike its shorter-chain counterparts, it’s less water-soluble and more lipid-soluble, contributing to its persistence in fragrance blends. The molecule lacks chirality centers, existing as a single structural isomer.
Physical & Chemical Properties
| Boiling Point | 223 °C |
|---|---|
| Density | 0.918 g/cm³ |
| Vapor Pressure | 0.01 mmHg at 25°C |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.01-0.1% | Up to 0.5% | Used sparingly for animalic effects |
| Functional Fragrance | 0.001-0.01% | Up to 0.05% | Masking agent for industrial odors |
Classic Accords
Tip: Always pre-dilute to 1% or lower before incorporating into blends due to intense odor impact.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions. General carboxylic acid guidelines apply.
GHS Classification
RIFM Assessment
RIFM considers safe at current usage levels based on carboxylic acid class data.
Sustainability
Synthesized from petroleum feedstocks, though some bio-based production exists via fermentation. Not considered environmentally hazardous due to ready biodegradability, but production energy requirements are moderate.
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References
- PubChem Compound Summary for Heptanoic acid PubChem CID 8094
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPerfumer’s Notes
FEMA #: 3348 | IOFI #: Nature Identical
Heptanoic acid has a disagreeable rancid, sour sweat-like, fatty odor. The spectroscopically pure acid exhibits a faint fallow-like odor.
Odor: [‘fatty’, ‘sour’]
MW: 130.18
LogP: 2.5
Odor Threshold: 10.4
Ingredient Data Sheet
CAS 111-14-8Physical Properties
| Molecular Weight | 130.18 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.5🔬 PubChem |
| Boiling Point | 222.2 °C🔬 EPA CompTox |
| Vapor Pressure | 1 mmHg @ 25°C📊 OPERA |
| Flash Point | 112.8 °C🔬 EPA CompTox |
| Involatility Index | 0.0945💻 Calculated |
| log Kp (skin permeability) | -1.719💻 Calculated |
| SMILES | CCCCCCC(=O)O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Slow💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | fatty• leffingwell |
| “The commercial product has a very unpleasant, sour-sweat-like, fatty odor. A highly purified acid is considerably more attractive, although it still has a fatty odor, it is more fat-like without having the typical "rancid" odor or sweat-like notes.”📖 Arctander | |
| Heptanoic acid has a disagreeable rancid, sour sweat-like, fatty odor. The spectroscopically pure acid exhibits a faint fallow-like odor.📖 Fenaroli | |
Sensory Thresholds
| Odor Detection Threshold | 0.7616 ppm (n=8)📖 van Gemert |
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: DTXSID2021600
Physical Properties
| Molecular Weight | 130.187 g/mol🔬 EPA CompTox |
| Density | 0.914 g/cm^3🔬 EPA CTX |
| Boiling Point | 222.683 °C🔬 EPA CTX |
| Melting Point | -7.987 °C🔬 EPA CTX |
| Flash Point | 108.772 °C🔬 EPA CTX |
| Refractive Index | 1.433 Dimensionless📊 OPERA |
| Molar Volume | 138.708 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.419 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 1.687 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | -0.106 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.75 Log10 unitless📊 OPERA |
| Water Solubility | 0.023 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 0.011 mmHg🔬 EPA CTX |
| Viscosity | 4.141 cP📊 OPERA |
| Surface Tension | 30.185 dyn/cm📊 OPERA |
| Thermal Conductivity | 145.694 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 37.3 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 | 36.043 cm^3/mol📊 OPERA |
| Polarizability | 14.289 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.
