2-Heptanone (CAS 110-43-0) — Sweet Top-Middle Note Fragrance Ingredient
2-Heptanone
CAS 110-43-0
What Is 2-Heptanone?
2-Heptanone is a synthetic ketone with a sharp, fruity-cheesy aroma. It’s found naturally in some cheeses and is used industrially as a solvent. This molecule adds a tangy edge to fragrances, often in dairy or tropical fruit accords. Though not common in consumer products, it’s a perfumer’s tool for creating unconventional effects.
Safety Profile
USE WITH AWARENESSWhat Does 2-Heptanone Smell Like?
2-Heptanone bursts with a piercing, almost acrid fruitiness – imagine overripe bananas mingling with blue cheese rind. The initial punch softens into a sour cream nuance with faint coconut undertones. In dry-down, it leaves a waxy, lactonic trail that can enhance dairy or tropical themes. At low concentrations, it adds intriguing ‘off-notes’ that make compositions more complex and realistic.
2D Molecular Structure
SMILES: CCCCCC(C)=O
Chemistry, Properties & Perfumer Guide
The Chemistry
2-Heptanone is a medium-chain ketone (C7) with a linear structure. Industrially produced via oxidation of heptane or through ketonic decarboxylation of carboxylic acids. Lacks chiral centers but exhibits conformational flexibility that influences its odor profile. The carbonyl group’s position creates its distinctive sharpness, differentiating it from related methyl ketones like 2-octanone.
Physical & Chemical Properties
| Boiling Point | 151-152 °C |
|---|---|
| Density | 0.81 g/cm³ |
| Vapor Pressure | 4.6 mmHg at 25°C |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.1-0.5% | Up to 1% | Used as an effect material |
| Functional Fragrance | 0.05-0.2% | Up to 0.5% | Adds dairy nuances |
| Flavor | 5-50 ppm | Up to 100 ppm | Cheese flavor enhancer |
Classic Accords
Tip: Use below 0.5% to avoid overwhelming compositions – works best when barely perceptible.
Alternatives & Comparisons
Similar but milder, with more coconut character. Preferred when less sharpness is desired.
For stronger dairy/rancid effects but requires careful handling due to potency.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted under current IFRA standards (Amendment 49).
GHS Classification
RIFM Assessment
RIFM evaluation complete – safe for use at current industry levels with recommended precautions.
Sustainability
Synthesized from petrochemical feedstocks via efficient catalytic processes. No known ecological issues at production scale, but not biodegradable. Research ongoing into bio-based production routes using microbial fermentation of fatty acids.
Explore 2-Heptanone
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781439847503
- PubChem Compound Summary for 2-Heptanone CID 8051
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 110-43-0Physical Properties
| Molecular Weight | 114.19 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2🔬 PubChem |
| Boiling Point | 148.9 °C🔬 EPA CompTox |
| Vapor Pressure | 3 mmHg @ 25°C📊 OPERA |
| Flash Point | 38.9 °C🔬 EPA CompTox |
| Involatility Index | 0.3026💻 Calculated |
| log Kp (skin permeability) | -1.977💻 Calculated |
| SMILES | CCCCCC(=O)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Moderate💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | cinnamoncoconutfruity• leffingwell |
| Functional Groups | ketone💻 RDKit |
| “Penetrating, fruity-spicy light and volatile odor with resemblance to the fresher notes in Cinnamon bark. However, it is generally classified as a rather "chemical" odor, and only in extreme dilution it displays the more attractive spicy fragrance.”📖 Arctander | |
| 2-Heptanone has a fruity, spicy, cinnamon, banana, slightly spicy odor.📖 Fenaroli | |
Flavor Notes (Arctander)
| “At concentrations below 50 ppm the taste is fresh, creamy-spicy, slightly fruity.”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 2.4864 ppm (n=29)📖 van Gemert |
Regulatory Status
| FEMA Number | FEMA 2544⚖️ 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: DTXSID5021916
Physical Properties
| Molecular Weight | 114.188 g/mol🔬 EPA CompTox |
| Density | 0.813 g/cm^3🔬 EPA CTX |
| Boiling Point | 150.437 °C🔬 EPA CTX |
| Melting Point | -34.847 °C🔬 EPA CTX |
| Flash Point | 41.017 °C🔬 EPA CTX |
| Refractive Index | 1.404 Dimensionless📊 OPERA |
| Molar Volume | 141.203 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.994 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 2.11 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.11 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.15 Log10 unitless🔬 EPA CTX |
| Water Solubility | 0.038 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 3.719 mmHg🔬 EPA CTX |
| Viscosity | 0.757 cP📊 OPERA |
| Surface Tension | 25.488 dyn/cm📊 OPERA |
| Thermal Conductivity | 140.006 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 17.07 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 4 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 34.509 cm^3/mol📊 OPERA |
| Polarizability | 13.68 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.
Related Research
- 6-Acetyl-1,1,2,4,4,7-hexamethyltetraline (CAS 21145-77-7) — Woody Base Note Fragrance Ingredient
- Perilla oil (CAS 68132-21-8) — Green Middle Note Fragrance Ingredient
- (3-Z)-3,12-Tridecadienenitrile (CAS 124071-43-8) — Green Top to middle Note Fragrance Ingredient
- Dodecanal dimethyl acetal (CAS 14620-52-1) — Citrus Top to middle Note Fragrance Ingredient
![Cyclopropanemethanol, 1-methyl-2-[[(1R,3R)-2,2,3-trimethylcyclopentyl]methyl]-, (1R,2R)- (CAS 1181244-95-0) — Woody Middle Note Fragrance Ingredient](https://thegoodscents.company/wp-content/uploads/2026/04/cyclopropanemethanol-1-methyl-2-1-1-768x439.webp)
