Valeraldehyde (CAS 110-62-3) — Green Top Note Fragrance Ingredient
Valeraldehyde
CAS 110-62-3
What Is Valeraldehyde?
Valeraldehyde is a synthetic aldehyde with a strong, pungent odor often described as acrid or fermented. It’s found in trace amounts in some foods and used as a flavoring agent. This sharp-smelling compound adds distinctive fermented fruit and nutty nuances to fragrances, though rarely as a dominant note due to its intensity.
Safety Profile
USE WITH AWARENESSWhat Does Valeraldehyde Smell Like?
Valeraldehyde assaults the nose with an immediate, sharp fermented quality – imagine overripe apples meeting stale beer in a musty cellar. The top note is aggressively chemical, with acrid green undertones that gradually soften into a peculiar nutty-bready heart. In drydown, it leaves behind a faint, almost cheese-like animalic whisper that blends surprisingly well with woody bases. Requires expert handling to avoid overwhelming compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used in trace amounts to add fermented complexity to the aldehyde bouquet, contributing to the legendary ‘sparkle’ effect.
Provides a subtle metallic-green edge to the crisp aldehydic opening, enhancing the modern freshness.
2D Molecular Structure
SMILES: CCCCC=O
Chemistry, Properties & Perfumer Guide
The Chemistry
Valeraldehyde (pentanal) is a straight-chain aliphatic aldehyde with the formula C5H10O. Industrially produced via hydroformylation of butene or oxidation of 1-pentanol. The molecule’s reactivity comes from its electrophilic carbonyl carbon, making it prone to oxidation and polymerization. No chiral centers exist in this simple structure, though its odor perception changes dramatically with concentration – from unpleasant at high levels to complex and food-like in extreme dilution.
Physical & Chemical Properties
| Boiling Point | 103 °C |
|---|---|
| Density | 0.809 g/cm³ |
| Vapor Pressure | 28.1 mmHg at 25°C |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.01-0.1% | Up to 0.5% | Used in extreme dilution for lift |
| Flavorings | 1-10 ppm | Up to 50 ppm | Adds fermented nuances |
Classic Accords
Tip: Always pre-dilute to 1% or lower before incorporating – the difference between pleasant and repulsive is measured in drops.
Alternatives & Comparisons
Less aggressive green-aldehyde with similar effects but better blending properties at slightly higher concentrations.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply to valeraldehyde (as of Amendment 51).
GHS Classification
RIFM Assessment
RIFM evaluation confirms safe use at current industry levels with no sensitization concerns.
Sustainability
Petroleum-derived synthesis raises environmental concerns, though quantities used are minuscule. Some biotech routes being explored using engineered microbes to produce from renewable feedstocks, but not yet commercially viable.
Explore Valeraldehyde
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. Book reference
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 110-62-3Physical Properties
| Molecular Weight | 86.13 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1.1🔬 PubChem |
| Boiling Point | 102.2 °C🔬 EPA CompTox |
| Vapor Pressure | 50 mmHg @ 25°C📊 OPERA |
| Flash Point | 12 °C🔬 EPA CompTox |
| Involatility Index | 5.8066💻 Calculated |
| log Kp (skin permeability) | -2.444💻 Calculated |
| SMILES | CCCCC=O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Very fast💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | chocolatenuttypungent• leffingwell |
| Functional Groups | aldehyde💻 RDKit |
| “Very powerful and diffusive, penetrating, acrid-pungent odor, in the concentrated form repulsively choking, cough-provoking. In extreme dilution dry-fruity, musty, Nut-like.”📖 Arctander | |
| n-Valeraldehyde has a powerful, acrid, pungent odor. At low levels, the taste is warm, slightly fruity and nut-like.📖 Fenaroli | |
Flavor Notes (Arctander)
| “The taste of this material is best evaluated at concentrations below 10 ppm, where pungency, acid notes and choking vapors are not interfering. At this low level, the taste is warm, slightly fruity, herbaceous-Nut-like. The title material is probably not used in perfumes. It is preferably removed fr”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 0.2675 ppm (n=6)📖 van Gemert |
Regulatory Status
| FEMA Number | FEMA 3098⚖️ 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: DTXSID7021653
Physical Properties
| Molecular Weight | 86.134 g/mol🔬 EPA CompTox |
| Density | 0.808 g/cm^3🔬 EPA CTX |
| Boiling Point | 103.075 °C🔬 EPA CTX |
| Melting Point | -91.294 °C🔬 EPA CTX |
| Flash Point | 10.883 °C🔬 EPA CTX |
| Refractive Index | 1.385 Dimensionless📊 OPERA |
| Molar Volume | 108.388 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 11.048 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 1.192 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.192 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 3.1 Log10 unitless📊 OPERA |
| Water Solubility | 0.141 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 30.469 mmHg🔬 EPA CTX |
| Viscosity | 0.488 cP📊 OPERA |
| Surface Tension | 23.817 dyn/cm📊 OPERA |
| Thermal Conductivity | 146.782 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 | 3 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 25.4 cm^3/mol📊 OPERA |
| Polarizability | 10.069 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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