Benzaldehyde (CAS 100-52-7) — almond top Note Fragrance Ingredient
Benzaldehyde
CAS 100-52-7
What Is Benzaldehyde?
Benzaldehyde is the simplest aromatic aldehyde, instantly recognizable as the primary scent of bitter almonds. It’s found naturally in cherry pits and apricot kernels, but most commercial versions are synthetically produced. This versatile ingredient appears in everything from marzipan flavorings to cherry-scented cosmetics. As the key molecule behind almond fragrances, benzaldehyde bridges food and fragrance worlds. Its ability to evoke nostalgic memories of baked goods makes it indispensable in gourmand compositions, while its crispness adds sophistication to floral accords.
Safety Profile
USE WITH AWARENESS
What Does Benzaldehyde Smell Like?
Benzaldehyde bursts forth with an intense, piercing almond-cherry character that’s simultaneously sweet and slightly metallic. The initial impression is like cracking open a fresh cherry pit – woody, nutty, and with a subtle marzipan richness. As it evolves, a benzyl alcohol-like floralcy emerges, softening the sharp edges. The dry-down reveals faint honeyed tones reminiscent of bitter orange marmalade. Though powerful at first, it dissipates quickly, leaving behind ghostly traces of cherry tobacco and old-fashioned cough drops. In dilution, it acquires an almost powdery quality that bridges gourmand and floral worlds.
Scent Profile
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Benzaldehyde forms the hyper-realistic cherry core of this rebellious fragrance, amplified with leather and rum for a decadent effect. The synthetic purity cuts through heavier base notes like a switchblade.
Used sparingly here to create the illusion of heliotrope’s almond-like facets, blending with anise and vanilla to form Guerlain’s signature ‘poudre’ accord that defines this twilight masterpiece.
Benzaldehyde’s cherry-almond duality is amplified with boozy notes and dark woods, creating a photorealistic fruit effect that avoids candy-like sweetness through sophisticated balancing.
Early use of benzaldehyde to simulate bitter orange peel in this citrus cologne, providing depth and longevity to the sparkling citrus top notes while maintaining freshness.
Benzaldehyde’s almond facet combines with iris and sandalwood to create Jean-Claude Ellena’s signature ‘floury’ accord – an abstract interpretation of freshly milled grain.
2D Molecular Structure
SMILES: O=CC1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Benzaldehyde (C7H6O) is the simplest aromatic aldehyde, consisting of a benzene ring with a formyl substituent. While occurring naturally in amygdalin-containing plants like bitter almonds, most commercial benzaldehyde is synthesized via toluene oxidation or benzyl chloride hydrolysis. The molecule’s planar structure and conjugated π-system contribute to its stability and distinctive odor. Industrial production often yields racemic mixtures, though naturally derived versions may show slight optical activity. Recent advances include biocatalytic routes using genetically modified Pseudomonas putida for sustainable production. The aldehyde group’s reactivity makes benzaldehyde valuable for synthesizing other fragrance ingredients like cinnamaldehyde.
Physical & Chemical Properties
| Boiling Point | 354 °F (179 °C) |
|---|---|
| Melting Point | -15 °F (-26 °C) |
| Flash Point | 148 °F (64 °C) |
| Density | 1.046 g/cm³ |
| Vapor Pressure | 1 mmHg at 79.2 °F |
| Refractive Index | 1.5456 at 20 °C |
| Solubility | <0.1 mg/mL in water |
| Appearance | Colorless to yellowish liquid |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Cherry/almond accords |
| Soap | 0.1-0.5% | Up to 1% | Marzipan-type scents |
| Candles | 0.3-1% | Up to 3% | Bakery notes |
| Food Flavoring | 10-100 ppm | Up to 500 ppm | Cherry/almond extracts |
Classic Accords
+ Rose + Cinnamon = Turkish Delight
+ Patchouli + Labdanum = Cherry Pipe Tobacco
Tip: Stabilize benzaldehyde with 0.1% BHT to prevent oxidation to benzoic acid during storage.
Alternatives & Comparisons
Softer, fruitier alternative with jasmine-like character when benzaldehyde’s sharpness needs tempering. Lacks the nutty depth but offers better stability.
For warmer spice-forward almond effects, though much more potent. Requires careful dosing to avoid overwhelming compositions.
When a powdery, vanillic almond character is desired without benzaldehyde’s cherry facets. Particularly useful in floral compositions.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. IFRA, REACH, EU Cosmetics Regulation standards update periodically. Consult current IFRA Standards Library before formulating. Not legal or regulatory advice.
IFRA Status
No IFRA restrictions. Listed as safe when used within standard fragrance industry practices.
EU Allergen Declaration
Not listed as EU allergen. Does not require declaration under Regulation (EC) No 1223/2009.
GHS Classification
H315 Causes skin irritation
H319 Causes serious eye irritation
RIFM Assessment
RIFM evaluation confirms safe use at current industry levels, with skin sensitization potential noted at high concentrations (>5%).
Sustainability
Most benzaldehyde is petroleum-derived via toluene oxidation, though green chemistry routes are emerging. The synthetic process has moderate environmental impact due to solvent use and byproduct formation. Natural benzaldehyde from bitter almonds is available but limited by agricultural constraints and amygdalin toxicity concerns. Recent advances in biocatalysis using engineered enzymes may offer sustainable alternatives without competing with food sources.
Explore Benzaldehyde
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Industry & Science Data
References
- National Toxicology Program (1992). Chemical Repository: Benzaldehyde. PubChem CID 240
- Burdock GA (2010). Fenaroli’s Handbook of Flavor Ingredients. ISBN 9781439847503
- RIFM (2016). Fragrance Material Review for Benzaldehyde. DOI:10.1016/j.fct.2016.05.006
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Mar 2026.
Physicochemical Properties
DTXSID: DTXSID8039241
Physical Properties
| Molecular Weight | 106.124 g/mol🔬 EPA CompTox |
| Density | 1.05 g/cm^3🔬 EPA CTX |
| Boiling Point | 179 °C🔬 EPA CTX |
| Melting Point | -26 °C🔬 EPA CTX |
| Flash Point | 63 °C🔬 EPA CTX |
| Refractive Index | 1.567 Dimensionless📊 OPERA |
| Molar Volume | 101.099 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.48 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 1.54 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.54 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 3.89 Log10 unitless📊 OPERA |
| Water Solubility | 0.065 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 1.131 mmHg🔬 EPA CTX |
| Viscosity | 1.413 cP📊 OPERA |
| Surface Tension | 39.978 dyn/cm📊 OPERA |
| Thermal Conductivity | 143.846 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 | 1 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 33.006 cm^3/mol📊 OPERA |
| Polarizability | 13.084 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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