(Z)-4-Dodecenal (CAS 21944-98-9) — Citrus Top Note Fragrance Ingredient
(Z)-4-Dodecenal
CAS 21944-98-9
What Is (Z)-4-Dodecenal?
Z)-4-Dodecenal is a synthetic fragrance ingredient used to add fresh, citrusy, and slightly metallic nuances to perfumes. It’s commonly found in modern citrus and aquatic fragrances. This ingredient matters because it provides a unique crispness that enhances top notes without overwhelming the composition, making it valuable for creating bright, contemporary scents.
Safety Profile
GENERALLY SAFEWhat Does (Z)-4-Dodecenal Smell Like?
(Z)-4-Dodecenal offers a sharp, fresh, and slightly green citrus note with a metallic edge. It evolves quickly on the skin, starting with a burst of aldehydic brightness that settles into a clean, aquatic undertone. The dry-down is subtle, leaving a faint trail of crispness that blends well with other top notes.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to enhance the fresh, aquatic top notes, providing a crisp, metallic edge that complements the lavender and mint.
Adds a sharp, citrusy freshness to the initial burst, balancing the sweetness of the apple and cedar.
2D Molecular Structure
SMILES: CCCCCCC\C=C/CCC=O
Chemistry, Properties & Perfumer Guide
The Chemistry
(Z)-4-Dodecenal is an unsaturated aldehyde with a 12-carbon chain. It is synthesized through hydroformylation of alkenes or oxidation of corresponding alcohols. Its structure contributes to its fresh, citrusy odor profile, while the double bond adds complexity and longevity to its scent.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Adds fresh, citrusy top notes |
| Personal Care | 0.5-2% | Up to 3% | Provides crispness in body sprays and deodorants |
Classic Accords
Tip: Use sparingly to avoid overpowering other top notes.
Alternatives & Comparisons
Offers a similar citrusy freshness but with less metallic edge, suitable for softer compositions.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply.
EU Allergen Declaration
Not listed as an EU allergen.
RIFM Assessment
RIFM assessment confirms safety at current usage levels.
Sustainability
Synthesized from petrochemical sources, with efforts underway to develop greener production methods. Its low usage levels minimize environmental impact.
Explore (Z)-4-Dodecenal
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References
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 21944-98-9Physical Properties
| Molecular Weight | 182.3 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 4.1🔬 PubChem |
| Boiling Point | 232 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0138 mmHg @ 25°C📊 OPERA |
| Flash Point | 109 °C🔬 EPA CompTox |
| Involatility Index | 0.0011💻 Calculated |
| log Kp (skin permeability) | -0.901💻 Calculated |
| SMILES | CCCCCCCC=CCCC=O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 3.9 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | citrusfishy• leffingwell |
| Functional Groups | aldehydealkene💻 RDKit |
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: DTXSID30885185
Physical Properties
| Molecular Weight | 182.307 g/mol🔬 EPA CompTox |
| Density | 0.852 g/cm^3📊 OPERA |
| Boiling Point | 244.594 °C📊 OPERA |
| Melting Point | 17.196 °C📊 OPERA |
| Flash Point | 107 °C📊 OPERA |
| Refractive Index | 1.445 Dimensionless📊 OPERA |
| Molar Volume | 217.55 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.673 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.673 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.673 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.07 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.011 mmHg📊 OPERA |
| Viscosity | 2.131 cP📊 OPERA |
| Surface Tension | 29.188 dyn/cm📊 OPERA |
| Thermal Conductivity | 146.618 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.
