Methyl 9-octadecenoate (CAS 112-62-9) — Sweet Base Note Fragrance Ingredient
Methyl 9-octadecenoate
CAS 112-62-9
What Is Methyl 9-octadecenoate?
Methyl 9-octadecenoate is a synthetic fragrance ingredient used in various personal care products and perfumes. It contributes to the overall scent profile with its unique characteristics. This ingredient helps create long-lasting fragrance effects and enhances the complexity of scent compositions, making it valuable in fine fragrances and body care formulations.
Safety Profile
GENERALLY SAFEWhat Does Methyl 9-octadecenoate Smell Like?
Methyl 9-octadecenoate offers a subtle, waxy, and slightly fatty odor with a faint fruity undertone. It evolves slowly on the skin, blending seamlessly into the heart notes of a fragrance. Its dry-down is smooth and persistent, adding a creamy texture to the overall scent profile. This ingredient is often used to enhance the longevity of floral and fruity accords.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to add a creamy, long-lasting base to floral compositions, enhancing their depth and persistence.
Provides a subtle waxy note that balances the sharpness of citrus top notes.
2D Molecular Structure
SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)OC
Chemistry, Properties & Perfumer Guide
The Chemistry
Methyl 9-octadecenoate is an ester derived from oleic acid. It is typically synthesized through esterification reactions involving methanol and oleic acid. This compound is part of the fatty acid methyl ester family, known for their stability and mild odor profiles. Its synthetic origin allows for consistent quality and purity in fragrance applications.
Physical & Chemical Properties
| Boiling Point | Not specified |
|---|---|
| Density | Not specified |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds longevity and creaminess |
| Body Care | 0.5-3% | Up to 5% | Enhances scent retention |
Classic Accords
Tip: Use in small amounts to avoid overpowering the fragrance with waxy notes.
Alternatives & Comparisons
Offers a similar waxy profile but with less fruity undertone, ideal for more neutral bases.
Provides a slightly sweeter and more floral character, suitable for lighter fragrances.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions apply to Methyl 9-octadecenoate.
RIFM Assessment
RIFM has not identified significant safety concerns for this ingredient at typical usage levels.
Sustainability
As a synthetic ingredient, Methyl 9-octadecenoate is produced with controlled processes that minimize environmental impact. Its consistent quality reduces the need for natural resource extraction, making it a sustainable choice for modern perfumery.
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References
- PubChem. Methyl 9-octadecenoate. PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 112-62-9Physical Properties
| Molecular Weight | 296.5 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 7.6🔬 PubChem |
| Boiling Point | 218.5 °C🔬 EPA CompTox |
| Vapor Pressure | 0 mmHg @ 25°C📊 OPERA |
| Flash Point | 180 °C🔬 EPA CompTox |
| log Kp (skin permeability) | 0.887💻 Calculated |
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)OC🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 17.7 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | sweetwoody• leffingwell |
| Functional Groups | esteretheralkene💻 RDKit |
| “This ester finds some use in perfume compositions, mainly in certain flower bases and floral compositions, calling for oily notes in the floral, petal-like portion of the odor. Jasmin, Tuberose, Gardenia and several other floral bases may benefit from the effect of this ester, although many related materials are used for the same purpose.”📖 Arctander | |
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: DTXSID5025811
Physical Properties
| Molecular Weight | 296.495 g/mol🔬 EPA CompTox |
| Density | 0.873 g/cm^3🔬 EPA CTX |
| Boiling Point | 353.645 °C📊 OPERA |
| Melting Point | -19.918 °C🔬 EPA CTX |
| Flash Point | 145.775 °C🔬 EPA CTX |
| Refractive Index | 1.454 Dimensionless📊 OPERA |
| Molar Volume | 339.261 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 7.45 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 7.645 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 7.645 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 9.16 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0.001 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 0 mmHg🔬 EPA CTX |
| Viscosity | 6.082 cP📊 OPERA |
| Surface Tension | 29.678 dyn/cm📊 OPERA |
| Thermal Conductivity | 151.264 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 26.3 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 15 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 91.906 cm^3/mol📊 OPERA |
| Polarizability | 36.434 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.
