Ethyl 3-methylthiopropionate (CAS 13327-56-5) — Sweet Top Note Fragrance Ingredient
Ethyl 3-methylthiopropionate
CAS 13327-56-5
What Is Ethyl 3-methylthiopropionate?
Ethyl 3-methylthiopropionate is a synthetic fragrance ingredient commonly found in fruity and tropical perfumes. It imparts a pineapple-like scent with a sweet, juicy character. This compound matters because it provides realistic fruit nuances without relying on natural extracts, making fragrances more consistent and sustainable.
Safety Profile
GENERALLY SAFEWhat Does Ethyl 3-methylthiopropionate Smell Like?
Ethyl 3-methylthiopropionate bursts with a vibrant, tropical pineapple aroma—think ripe fruit dripping with juice. The top note is intensely sweet and slightly green, evolving into a softer, candy-like heart. The dry-down reveals a subtle sulfurous nuance that adds depth without overpowering. Like biting into a freshly cut pineapple, but with a polished, perfumery finish.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to create a hyper-realistic pineapple note that dominates the opening, blending with citrus and woods for a modern tropical vibe.
Provides a juicy pineapple top note that contrasts with smoky birch and musky base, creating a legendary fruity-woody accord.
2D Molecular Structure
SMILES: CCOC(=O)CCSC
Chemistry, Properties & Perfumer Guide
The Chemistry
Ethyl 3-methylthiopropionate is an ester derived from 3-methylthiopropionic acid and ethanol. It belongs to the class of sulfur-containing esters, which are prized in perfumery for their potent, fruity aromas. Synthesized via esterification, this compound is typically produced in high purity for fragrance applications. Its sulfur atom contributes to the distinctive tropical character, while the ethyl group enhances volatility and diffusion.
Physical & Chemical Properties
| Boiling Point | 198 °C |
|---|---|
| Density | 0.865 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Adds tropical fruit top notes |
| Functional Fragrance | 0.1-0.5% | Up to 1% | Used in shampoos and body washes for fruity effects |
Classic Accords
Tip: Use sparingly to avoid overwhelming the composition with its potent pineapple character.
Alternatives & Comparisons
Offers a more apple-like fruitiness with less sulfurous nuance, suitable for softer fruity accords.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted by IFRA. Safe for use in all categories.
EU Allergen Declaration
Not listed as an EU allergen.
RIFM Assessment
RIFM has evaluated this ingredient and found it safe for use in current practices.
Sustainability
As a synthetic ingredient, Ethyl 3-methylthiopropionate reduces reliance on natural pineapple extracts, which can be resource-intensive. Production is scalable with minimal environmental impact when proper waste management is followed.
Explore Ethyl 3-methylthiopropionate
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References
- PubChem. Ethyl 3-methylthiopropionate. CID 5359596
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID2065414
Physical Properties
| Molecular Weight | 148.22 g/mol🔬 EPA CompTox |
| Density | 1.03 g/cm^3🔬 EPA CTX |
| Boiling Point | 196.5 °C🔬 EPA CTX |
| Melting Point | -38.878 °C📊 OPERA |
| Flash Point | 70.055 °C📊 OPERA |
| Refractive Index | 1.459 Dimensionless📊 OPERA |
| Molar Volume | 145.027 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.489 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 1.489 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.489 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.43 Log10 unitless📊 OPERA |
| Water Solubility | 0.089 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.993 mmHg📊 OPERA |
| Viscosity | 1.296 cP📊 OPERA |
| Surface Tension | 31.101 dyn/cm📊 OPERA |
| Thermal Conductivity | 140.019 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 | 4 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 39.618 cm^3/mol📊 OPERA |
| Polarizability | 15.706 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.
