Vanillin (CAS 121-33-5) — vanilla base Note Fragrance Ingredient
Vanillin
CAS 121-33-5
What Is Vanillin?
Vanillin is the primary component of vanilla bean extract, responsible for its classic sweet aroma. You encounter it in baked goods, ice cream, candles, and perfumes. This molecule matters because it’s one of the most universally loved scents, evoking warmth and comfort across cultures. Its versatility makes it essential in both food and fragrance industries.
Safety Profile
GENERALLY SAFE
What Does Vanillin Smell Like?
Vanillin bursts with creamy, powdery sweetness reminiscent of fresh vanilla pods dipped in warm milk. The initial impression is intensely gourmand – like melted vanilla ice cream with a hint of caramelized sugar. As it evolves, a delicate phenolic edge emerges, adding sophistication to what might otherwise be cloying. The dry-down reveals a soft woody-balsamic character that lingers for hours, leaving a comforting trail reminiscent of freshly baked cookies. Unlike natural vanilla extract, synthetic vanillin lacks the rum-like depth but delivers purer, more focused sweetness.
Scent Profile
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Vanillin forms the sweet backbone of this oriental masterpiece, blending with amber and bergamot to create its signature powdery warmth. The dosage was revolutionary for its time.
Modern overdose of vanillin creates a addictive gourmand effect, amplified by coffee and white flowers for a youthful, energetic vanilla.
Demonstrates vanillin’s sophistication when paired with rum and smoky notes, creating a boozy, grown-up vanilla far removed from simple sweetness.
Pure vanillin showcase with musk, proving how this molecule can stand alone when perfectly calibrated for diffusion and tenacity.
Uses vanillin’s dry woody facets by pairing it with oakmoss, creating an unusual ‘fresh vanilla’ effect that defies gourmand expectations.
2D Molecular Structure
SMILES: COC1=C(O)C=CC(C=O)=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Vanillin (4-hydroxy-3-methoxybenzaldehyde) is a phenolic aldehyde belonging to the benzaldehyde chemical class. While naturally occurring in vanilla orchids, most commercial vanillin is synthesized from lignin (wood pulp byproduct) or guaiacol. Modern routes involve microbial fermentation of ferulic acid. The molecule’s planar structure and methoxy/hydroxy substitution pattern create strong hydrogen bonding capacity. Though not chiral itself, natural vanillin contains trace chiral impurities that contribute to its more complex odor profile compared to synthetic versions.
Physical & Chemical Properties
| Molecular Weight | 152.15 g/mol |
|---|---|
| Boiling Point | 285 °C (545 °F) |
| Melting Point | 81-83 °C (178-181 °F) |
| Flash Point | 153 °C (307 °F) |
| Density | 1.056 g/cm³ |
| Vapor Pressure | 1 mmHg at 107 °C |
| XLogP | 1.2 |
| Solubility | 10 g/L in water |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | 0.5-5% | Higher in gourmands/orientals |
| Candles | 5-8% | Up to 10% | Beneficial for hot throw |
| Soap | 0.5-1% | Up to 2% | Prone to discoloration |
| Food Flavoring | 0.01-0.1% | Up to 0.2% | GRAS limits apply |
Classic Accords
+ Ethyl Maltol + Caramel = Gourmand
+ Coumarin + Oakmoss = Fougère
Tip: Counteract vanillin’s discoloration tendency with antioxidants like BHT (0.1%) in soap applications.
Alternatives & Comparisons
3x more potent than vanillin with sharper, more persistent sweetness. Used when stronger impact is needed despite higher cost.
Natural alternative containing hundreds of compounds for complex, rum-like vanilla notes when authenticity justifies the price.
Provides similar sweet-powdery effects without phenolic character, useful in floral compositions where vanillin would be too gourmand.
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 on IFRA 49th Amendment as unrestricted for all applications.
RIFM Assessment
RIFM considers vanillin safe as used in fragrance with a MoS (Margin of Safety) >100 at current exposure levels.
Sustainability
Most vanillin is now produced sustainably from lignin (paper industry byproduct) or through biotech routes using ferulic acid. These methods reduce pressure on natural vanilla orchids, which require intensive labor. Synthetic production has 90% lower land use impact than natural vanilla cultivation. Some concerns exist about guaiacol sourcing from petrochemicals, but renewable options are increasing.
Explore Vanillin
Browse essential oils and aroma compounds.
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Industry & Science Data
References
- PubChem Compound Summary for Vanillin (CID 1183) PubChem 1183
- FEMA (2011). GRAS Assessment of Vanillin. Food Technology, 65(7). FEMA Review
- Sinha AK et al. (2008). Vanillin Biotechnology – A Perspective. Applied Microbiology and Biotechnology, 80(4). Biotech Review
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Mar 2026.
Physicochemical Properties
DTXSID: DTXSID0021969
Physical Properties
| Molecular Weight | 152.149 g/mol🔬 EPA CompTox |
| Density | 1.058 g/cm^3🔬 EPA CTX |
| Boiling Point | 284.938 °C🔬 EPA CTX |
| Melting Point | 81.781 °C🔬 EPA CTX |
| Flash Point | 144.829 °C🔬 EPA CTX |
| Refractive Index | 1.588 Dimensionless📊 OPERA |
| Molar Volume | 123.532 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.218 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 1.238 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.034 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.48 Log10 unitless📊 OPERA |
| Water Solubility | 0.069 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 0.001 mmHg🔬 EPA CTX |
| Viscosity | 6.022 cP📊 OPERA |
| Surface Tension | 44.632 dyn/cm📊 OPERA |
| Thermal Conductivity | 152.885 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 46.53 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 3 count💻 Computed |
| Rotatable Bonds | 2 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 41.566 cm^3/mol📊 OPERA |
| Polarizability | 16.478 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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