Methyl 3-methylthiopropionate (CAS 13532-18-8) — Sweet Top to middle Note Fragrance Ingredient
Methyl 3-methylthiopropionate
CAS 13532-18-8
What Is Methyl 3-methylthiopropionate?
Methyl 3-methylthiopropionate is a synthetic fragrance ingredient that adds fruity, tropical nuances to perfumes and flavored products. You’ll encounter it in pineapple and passionfruit fragrances, as well as some tropical-themed body care products. This molecule matters because it provides a cost-effective way to create authentic tropical fruit effects without relying on natural extracts that may vary in quality or sustainability.
Safety Profile
GENERALLY SAFEWhat Does Methyl 3-methylthiopropionate Smell Like?
Methyl 3-methylthiopropionate bursts with a juicy, sun-ripened pineapple character – think golden fruit flesh dripping with nectar. The top note has a surprising sulfurous edge that quickly mellows into a candied tropical heart, like pineapple gummies dusted with brown sugar. In drydown, it leaves a warm, slightly caramelized fruit impression that blends beautifully with vanilla and woody bases. The sulfur facet gives it an intriguing savory contrast that prevents cloying sweetness, making it more sophisticated than simple fruit esters.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to amplify the cocktail-like pineapple rum accord, giving a photorealistic tropical fruit effect that persists through the citrus top notes.
Forms the core pineapple note, balanced with bergamot to create a sparkling, almost carbonated fruit effect in this Aventus-inspired fragrance.
Provides subtle tropical fruit undertones that contrast with the oceanic notes, suggesting sun-warmed fruit on a beach.
2D Molecular Structure
SMILES: COC(=O)CCSC
Chemistry, Properties & Perfumer Guide
The Chemistry
Methyl 3-methylthiopropionate is a thioester, part of the important class of sulfur-containing fragrance molecules that often provide tropical fruit and meaty nuances. It’s synthesized via esterification of 3-methylthiopropionic acid with methanol, typically using acid catalysis. The sulfur atom in the thioester group is key to its odor profile, creating the characteristic tropical fruit aroma through interaction with olfactory receptors sensitive to sulfur compounds. Unlike many fruit esters, it maintains good stability in alkaline formulations due to its thioester linkage.
Physical & Chemical Properties
| Boiling Point | 198-200 °C |
|---|---|
| Density | 1.09 g/cm³ |
| Refractive Index | 1.488-1.492 |
| Flash Point | 87 °C |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.1-0.5% | Up to 1% | For tropical fruit effects |
| Body Care | 0.05-0.2% | Up to 0.3% | In shower gels and shampoos |
| Candles | 0.3-0.8% | Up to 1.2% | For strong diffusion |
Classic Accords
Tip: Use at 0.2% with ethyl maltol to enhance the caramelized fruit effect without increasing sweetness.
Alternatives & Comparisons
Slightly sweeter and less sulfurous, better for applications requiring softer tropical fruit notes with less savory edge.
For a cleaner, less sulfury pineapple effect, though lacks the depth and caramel nuances of the thioester.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions under Amendment 49. Typical usage well below any potential sensitization thresholds.
GHS Classification
RIFM Assessment
RIFM assessment completed in 2012, deemed safe for current fragrance use patterns.
Sustainability
As a synthetic material, production avoids agricultural land use and seasonal variability. The synthesis route has moderate energy requirements but benefits from high atom economy. Being sulfur-based, manufacturing requires proper waste treatment to prevent environmental release of sulfur compounds.
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781439820795
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID0047402
Physical Properties
| Molecular Weight | 134.19 g/mol🔬 EPA CompTox |
| Density | 1.07 g/cm^3🔬 EPA CTX |
| Boiling Point | 169.786 °C📊 OPERA |
| Melting Point | -38.368 °C📊 OPERA |
| Flash Point | 66.967 °C📊 OPERA |
| Refractive Index | 1.457 Dimensionless📊 OPERA |
| Molar Volume | 128.521 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.162 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 1.162 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.162 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 3.93 Log10 unitless📊 OPERA |
| Water Solubility | 0.153 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 2.524 mmHg📊 OPERA |
| Viscosity | 0.941 cP📊 OPERA |
| Surface Tension | 30.867 dyn/cm📊 OPERA |
| Thermal Conductivity | 142.112 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 26.3 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 3 count💻 Computed |
| Rotatable Bonds | 3 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 34.985 cm^3/mol📊 OPERA |
| Polarizability | 13.869 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.
