Butyraldehyde (CAS 123-72-8) — Citrus Top Note Fragrance Ingredient
Butyraldehyde
CAS 123-72-8
What Is Butyraldehyde?
Butyraldehyde is a synthetic organic compound commonly used in flavorings and fragrances. It’s found in small amounts in some fruits and is synthesized for industrial use. This ingredient matters because it adds a sharp, pungent note that can enhance fruity and buttery accords in perfumes and food products.
Safety Profile
USE WITH AWARENESSWhat Does Butyraldehyde Smell Like?
Butyraldehyde presents a sharp, pungent aroma with strong aldehydic character. Initially aggressive, it evolves into a buttery, slightly fruity note reminiscent of overripe apples. The dry-down reveals a lingering chemical edge that blends well with other aldehydes to create complex top notes in fragrances.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used in trace amounts to enhance the aldehydic bouquet, contributing to the sparkling top note that defines this classic fragrance.
Adds a sharp contrast to the floral heart, creating tension with the powdery orris and rose notes.
2D Molecular Structure
SMILES: CCCC=O
Chemistry, Properties & Perfumer Guide
The Chemistry
Butyraldehyde is a simple aldehyde with the formula C4H8O. It’s produced industrially via hydroformylation of propylene. The molecule exists in two isomeric forms (n-butyraldehyde and isobutyraldehyde), with the straight-chain form being more common in fragrance applications. Its reactivity makes it valuable for creating more complex aroma chemicals through aldol condensation reactions.
Physical & Chemical Properties
| Boiling Point | 75 °C |
|---|---|
| Density | 0.80 g/cm³ |
| Flash Point | -7 °C |
| Vapor Pressure | 100 mmHg at 20°C |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.1-0.5% | Up to 1% | Used sparingly for top note effects |
| Functional Fragrance | 0.01-0.1% | Up to 0.5% | Adds fruity nuances to cleaning products |
Classic Accords
Tip: Use in minute quantities and always pre-dilute to 1% or less due to its overwhelming strength.
Alternatives & Comparisons
Provides similar aldehydic effects but with a greener, grassier character and less pungency.
Offers almond-like notes when a less aggressive aldehyde is needed.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions. Generally recognized as safe at low concentrations.
GHS Classification
RIFM Assessment
RIFM has evaluated butyraldehyde as safe for use in fragrance when used at current industry levels.
Sustainability
Butyraldehyde is produced from petrochemical feedstocks. While energy-intensive to manufacture, it’s used in such small quantities that its environmental impact is minimal compared to other fragrance ingredients. No known ecological toxicity concerns at usage levels.
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781420090772
- PubChem Compound Summary for CID 261 PubChem CID 261
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID8021513
Physical Properties
| Molecular Weight | 72.107 g/mol🔬 EPA CompTox |
| Density | 0.805 g/cm^3🔬 EPA CTX |
| Boiling Point | 74.838 °C🔬 EPA CTX |
| Melting Point | -90.903 °C🔬 EPA CTX |
| Flash Point | -9.133 °C🔬 EPA CTX |
| Refractive Index | 1.37 Dimensionless📊 OPERA |
| Molar Volume | 91.881 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 0.897 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 0.862 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 0.862 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 3.39 Log10 unitless🔬 EPA CTX |
| Water Solubility | 0.942 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 106.248 mmHg🔬 EPA CTX |
| Viscosity | 0.466 cP📊 OPERA |
| Surface Tension | 23.051 dyn/cm📊 OPERA |
| Thermal Conductivity | 145.26 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 | 2 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 20.767 cm^3/mol📊 OPERA |
| Polarizability | 8.233 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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