Amyl valerate (CAS 2173-56-0) — Sweet Top Note Fragrance Ingredient
Amyl valerate
CAS 2173-56-0
What Is Amyl valerate?
Amyl valerate is a fruity ester commonly used in artificial flavorings and fragrances. You’ll encounter it in candy flavors, tropical fruit perfumes, and some household cleaners. This synthetic molecule matters because it delivers a cost-effective, consistent version of natural fruit aromas without relying on agricultural production.
Safety Profile
GENERALLY SAFEWhat Does Amyl valerate Smell Like?
Amyl valerate bursts with a bright, banana-like top note reminiscent of circus candy and banana Laffy Taffy. The heart reveals a juicy pear undertone with a hint of overripe tropical fruit. Dry-down shows surprising tenacity for an ester, leaving a faint bubblegum sweetness that lingers longer than expected from its molecular weight.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to amplify the synthetic fruit cocktail effect, pairing with ethyl maltol to create a hyper-realistic tropical punch illusion.
Provides the artificial banana note that blends with coconut and vanilla for a sunscreen accord.
2D Molecular Structure
SMILES: CCCCCOC(=O)CCCC
Chemistry, Properties & Perfumer Guide
The Chemistry
Amyl valerate (pentyl pentanoate) is an ester formed from amyl alcohol and valeric acid. Industrially produced via acid-catalyzed esterification, this process allows precise control over the fruity character. The branched amyl isomers create subtle olfactory variations – straight-chain n-amyl provides cleaner banana notes while isoamyl versions are more pungent.
Physical & Chemical Properties
| Boiling Point | 186-188 °C |
|---|---|
| Flash Point | 62 °C |
| Density | 0.865 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Used for tropical fruit effects |
| Functional Fragrance | 1-3% | Up to 10% | In cleaning products for fruity notes |
| Flavor | 10-50 ppm | Up to 100 ppm | Artificial fruit flavors |
Classic Accords
Tip: Use with aldehydes C-8 to C-12 to create sparkling fruit effects.
Alternatives & Comparisons
When a sharper, more authentic banana note is needed without the bubblegum effect.
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
RIFM assessment completed – no safety concerns at current usage levels.
Sustainability
As a petrochemical derivative, amyl valerate raises fewer agricultural concerns than natural fruit extracts but carries higher carbon footprint from synthesis. Recent advances in bio-based pentanol production may improve its sustainability profile.
Explore Amyl valerate
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References
- PubChem Compound Summary for Amyl valerate CID 31212
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 2173-56-0Physical Properties
| Molecular Weight | 172.26 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.3🔬 PubChem |
| Boiling Point | 208.3 °C🔬 EPA CompTox |
| Vapor Pressure | 0.1778 mmHg @ 25°C📊 OPERA |
| Flash Point | 77.2 °C🔬 EPA CompTox |
| Involatility Index | 0.0146💻 Calculated |
| log Kp (skin permeability) | -1.408💻 Calculated |
| SMILES | CCCCCOC(=O)CCCC🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Slow💻 Calculated |
| Persistence Score | 1.4 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | appleetherealfruity• leffingwell |
| Functional Groups | esterether💻 RDKit |
| “Fruity-ethereal, heavy, Apple-like odor, not as fresh-drutty as the iso-Amyl-iso-valerate.”📖 Arctander | |
Flavor Notes (Arctander)
| “Sweet Apple-like taste, somewhat harsher than that of the iso-Amyl-iso-valerate. Finds some use in flavor compositions, but is not as popular as the isomer which is furthermore less expensive.”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 0.0395 ppm (n=2)📖 van Gemert |
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: DTXSID8042218
Physical Properties
| Molecular Weight | 172.268 g/mol🔬 EPA CompTox |
| Density | 0.877 g/cm^3📊 OPERA |
| Boiling Point | 206.01 °C🔬 EPA CTX |
| Melting Point | -78.8 °C🔬 EPA CTX |
| Flash Point | 76.852 °C📊 OPERA |
| Refractive Index | 1.423 Dimensionless📊 OPERA |
| Molar Volume | 197.085 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.6 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 3.675 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.675 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.06 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.208 mmHg📊 OPERA |
| Viscosity | 1.339 cP📊 OPERA |
| Surface Tension | 27.179 dyn/cm📊 OPERA |
| Thermal Conductivity | 139.123 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 26.3 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 7 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 50.152 cm^3/mol📊 OPERA |
| Polarizability | 19.882 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.
