Methyl thiobutyrate (CAS 2432-51-1) — Sweet Top Note Fragrance Ingredient
Methyl thiobutyrate
CAS 2432-51-1
What Is Methyl thiobutyrate?
Methyl thiobutyrate is a synthetic fragrance ingredient used to create fruity, tropical aromas in perfumes and flavored products. You’ll encounter it in pineapple-forward fragrances and some tropical fruit-flavored foods. This molecule matters because it delivers an intense, authentic pineapple note at very low concentrations, making it cost-effective for perfumers and flavorists seeking bold tropical effects without overwhelming compositions.
Safety Profile
USE WITH AWARENESSWhat Does Methyl thiobutyrate Smell Like?
Methyl thiobutyrate bursts with an intensely sweet, jammy pineapple character – like overripe fruit dripping with syrup. The initial punch evolves into a creamy tropical nuance reminiscent of piña colada, with a subtle sulfurous edge that adds complexity. As it dries down, it maintains its fruity persistence while revealing a faint buttery undertone. The molecule behaves like concentrated pineapple juice reduced to its essence, with a tenacity that makes it detectable even in trace amounts.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used sparingly to amplify the pineapple top note in this tropical masterpiece, blending with lime and coconut for a photorealistic Caribbean cocktail effect.
Contributes to the signature pineapple opening, modified with blackcurrant to create a more sophisticated, less candied tropical impression.
Showcases methyl thiobutyrate’s power as the dominant pineapple note, balanced with woody amber base notes for longevity.
2D Molecular Structure
SMILES: CCCC(=O)SC
Chemistry, Properties & Perfumer Guide
The Chemistry
Methyl thiobutyrate is a thioester with the molecular formula C5H10OS. As a sulfur-containing ester, it’s synthesized through esterification of thiobutyric acid with methanol. The sulfur atom contributes to its powerful odor profile and low detection threshold. While found in trace amounts in some fruits, commercial production is entirely synthetic. The molecule’s compact structure gives it excellent volatility, making it ideal for top notes in fragrance compositions.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.1-0.5% | Up to 1% | Extremely potent – use sparingly |
| Functional Fragrance | 0.01-0.1% | Up to 0.2% | For tropical shampoo/body wash |
Classic Accords
Tip: Always dose below 0.5% – this molecule can dominate compositions and cause fatigue at higher levels.
Alternatives & Comparisons
Similar profile but slightly softer and more diffusive, preferred when a less aggressive pineapple note is desired.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions. General thioester guidelines apply.
GHS Classification
RIFM Assessment
RIFM has evaluated similar thioesters but no specific assessment found for this compound.
Sustainability
As a synthetic material, methyl thiobutyrate has minimal environmental impact in production. Its extreme potency means very small quantities are needed, reducing overall material consumption. No known issues with sourcing or manufacturing byproducts.
Explore Methyl thiobutyrate
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID5047669
Physical Properties
| Molecular Weight | 118.19 g/mol🔬 EPA CompTox |
| Density | 0.964 g/cm^3🔬 EPA CTX |
| Boiling Point | 142.5 °C🔬 EPA CTX |
| Melting Point | 17.63 °C📊 OPERA |
| Flash Point | 41.233 °C📊 OPERA |
| Refractive Index | 1.457 Dimensionless📊 OPERA |
| Molar Volume | 122.158 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.455 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 1.455 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.455 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 3.95 Log10 unitless📊 OPERA |
| Water Solubility | 0.085 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 6.729 mmHg📊 OPERA |
| Viscosity | 0.767 cP📊 OPERA |
| Surface Tension | 30.383 dyn/cm📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 17.07 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 2 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 33.24 cm^3/mol📊 OPERA |
| Polarizability | 13.177 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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