2-Dodecenal (CAS 4826-62-4) — Citrus Top to mid Note Fragrance Ingredient
2-Dodecenal
CAS 4826-62-4
What Is 2-Dodecenal?
2-Dodecenal is a synthetic aldehyde used in perfumery to create citrusy, waxy, and slightly floral accents. You’ll encounter it in high-end fragrances where it adds a sophisticated sparkle to top notes. This ingredient matters because it bridges fresh citrus qualities with deeper floral tones, offering perfumers a versatile building block for modern accords.
Safety Profile
USE WITH AWARENESSWhat Does 2-Dodecenal Smell Like?
2-Dodecenal opens with a bright, zesty burst reminiscent of lemon peel and grapefruit pith, quickly revealing a waxy, slightly fatty undertone like candle wax or fresh-cut cucumber. The heart develops a delicate floralcy akin to magnolia petals floating in citrus water. Dry-down leaves a clean, soapy impression with faint metallic edges, behaving like sunlight glinting off chrome. Its tenacity is moderate, transitioning smoothly into middle notes without overwhelming compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to amplify the citrusy freshness, adding a modern aldehydic lift to the classic citrus-herbal structure.
Contributes to the sparkling Mediterranean citrus accord, enhancing the naturalistic lemon note with synthetic precision.
2D Molecular Structure
SMILES: CCCCCCCCC\C=C/C=O
Chemistry, Properties & Perfumer Guide
The Chemistry
2-Dodecenal belongs to the α,β-unsaturated aldehyde class, characterized by a 12-carbon chain with a double bond at the 2-position. Industrially produced via hydroformylation of undecene followed by oxidation, this molecule exhibits geometric isomerism (E/Z) that affects its odor profile. The trans-isomer typically displays sharper citrus character, while cis-forms lean waxier. Unlike many aldehydes, it shows good stability in alkaline conditions, making it useful in soap perfumery.
Physical & Chemical Properties
| Boiling Point | 235-237 °C |
|---|---|
| Density | 0.838 g/cm³ at 20°C |
| Refractive Index | 1.443 at 20°C |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Adds citrus-floral lift |
| Functional Fragrance | 0.1-0.5% | Up to 1% | Soapy-clean accent |
Classic Accords
Tip: Stabilize in ethanol before adding to aqueous systems to prevent hydrolysis.
Alternatives & Comparisons
For simpler citrus-waxy profiles without the floral development, though less tenacious.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No current restrictions under IFRA 49th Amendment.
GHS Classification
RIFM Assessment
RIFM evaluation complete – safe at current use levels with sensitization risk below threshold.
Sustainability
Produced petrochemically but at low volumes (estimated <10 MT/year globally). Not currently bio-sourced but theoretically producible via bioconversion of fatty acids. Lifecycle analysis shows moderate carbon footprint due to efficient synthesis routes. Waste streams are minimal as production occurs in multipurpose chemical plants.
Explore 2-Dodecenal
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781420090869
- IFRA Standards Library (2021). 49th Amendment. IFRA Official
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 4826-62-4Physical Properties
| Molecular Weight | 182.3 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 4.8🔬 PubChem |
| Boiling Point | 73 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -0.404💻 Calculated |
| SMILES | CCCCCCCCCC=CC=O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
Odor & Flavor
| Primary Descriptors | orangewaxy• leffingwell |
| Functional Groups | aldehydealkene💻 RDKit |
| “Powerful citrusy odor, unpleasant gassy, choking at high concentration, but interestingly natural, Orange-Mandarin-like in extreme dilution.”📖 Arctander | |
| 2-Dodecenal has a powerful, fatty, citrus-, mandarin orange-like odor at low levels and a mandarin taste.📖 Fenaroli | |
Flavor Notes (Arctander)
| “Taste is Mandarin-like at concentrations below 2 ppm. Finds use in flavor compositions, mainly in Orange and Mandarin imitation flavors. The concentration is always mere traces.”📖 Arctander |
Regulatory Status
| FEMA Number | FEMA 2402⚖️ 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: DTXSID0052122
Physical Properties
| Molecular Weight | 182.307 g/mol🔬 EPA CompTox |
| Density | 0.844 g/cm^3🔬 EPA CTX |
| Boiling Point | 245.036 °C📊 OPERA |
| Melting Point | 17.336 °C📊 OPERA |
| Flash Point | 109.669 °C📊 OPERA |
| Refractive Index | 1.445 Dimensionless📊 OPERA |
| Molar Volume | 217.55 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.51 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 4.715 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.715 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.07 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0.001 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.009 mmHg📊 OPERA |
| Viscosity | 2.274 cP📊 OPERA |
| Surface Tension | 29.188 dyn/cm📊 OPERA |
| Thermal Conductivity | 146.594 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 | 9 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 57.888 cm^3/mol📊 OPERA |
| Polarizability | 22.949 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.
