Dimethyl trisulfide (CAS 3658-80-8) — Green Top to heart Note Fragrance Ingredient
Dimethyl trisulfide
CAS 3658-80-8
What Is Dimethyl trisulfide?
Dimethyl trisulfide is a potent sulfur compound found naturally in some vegetables like cabbage and onions, and also created during cooking processes. It’s responsible for the intense, savory aroma of cooked alliums and certain fermented foods. This molecule matters because it adds realistic ‘dirty’ facets to perfumes – making floral accords smell alive rather than overly clean, and giving gourmand fragrances an authentic cooked-ingredient depth.
Safety Profile
USE WITH AWARENESSWhat Does Dimethyl trisulfide Smell Like?
Dimethyl trisulfide explodes with an intensely sulfidic, almost septic opening – imagine crushed garlic cloves blended with rotting cabbage and a struck match. This aggressive top note gradually settles into a savory heart reminiscent of simmering onion soup or black truffle oil. The dry-down reveals an animalic muskiness that lingers close to skin, adding carnal depth to otherwise pristine compositions. Used at trace levels, it provides an unsettling but fascinating ‘living tissue’ realism.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used at minimal levels to create the infamous ‘bodily fluid’ illusion, combining with marine and metallic notes for an unsettlingly realistic biological effect.
Provides a subterranean truffle-like depth beneath the rose and chocolate, adding an erotic edge to this dark floral gourmand.
Mimics the ashy, slightly sulfurous quality of burning tobacco when combined with jasmine absolute and styrax.
2D Molecular Structure
SMILES: CSSSC
Chemistry, Properties & Perfumer Guide
The Chemistry
Dimethyl trisulfide (DMTS) is an organic trisulfide with the formula CH3SSSCH3. As a volatile sulfur compound (VSC), it’s part of the Allium genus’ defense mechanism and forms during thermal degradation of sulfur-containing amino acids. Industrially produced via reaction of methyl mercaptan with sulfur dichloride, its three-sulfur chain creates exceptional olfactory potency. The molecule lacks chirality but exhibits complex conformational dynamics that affect its odor profile at different concentrations.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | 165-170 °C |
| Density | 1.09 g/cm³ |
| Refractive Index | 1.595 |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.001-0.01% | Up to 0.05% | Used at parts-per-million for realistic effects |
| Functional Fragrance | Not used | N/A | Generally avoided due to potency |
| Flavor | 1-5 ppm | Up to 10 ppm | Adds savory depth to meat flavors |
Classic Accords
Tip: Always pre-dilute to 0.1% or lower before incorporating into blends – direct use can overwhelm entire formulations.
Alternatives & Comparisons
Less aggressive with a more pronounced onion character, useful when a softer sulfur effect is desired while maintaining longevity.
Provides meaty, roasted qualities without the septic top notes, better suited for palatable gourmand applications.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA, but recommended usage below 0.01% in finished products due to extreme potency.
EU Allergen Declaration
Not listed in EU allergen regulations.
GHS Classification
RIFM Assessment
RIFM evaluation ongoing; preliminary data suggests safe use at current industry levels based on food exposure pathways.
Sustainability
Synthetic production avoids agricultural impacts, but requires careful handling due to sulfur waste streams. Modern catalytic processes have reduced environmental footprint compared to older methods. As a high-potency material, very small quantities suffice, making it resource-efficient despite its synthetic origin.
Explore Dimethyl trisulfide
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References
- Block, E. (2010). Garlic and Other Alliums: The Lore and The Science. Royal Society of Chemistry. ISBN 9780854041909
- Starkenmann, C. et al. (2008). Olfactory Perception of Cysteine-S-Conjugates from Fruits and Vegetables. J. Agric. Food Chem. DOI:10.1021/jf800113r
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 3658-80-8Physical Properties
| Molecular Weight | 126.3 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1.3🔬 PubChem |
| Boiling Point | 181 °C🔬 EPA CompTox |
| Vapor Pressure | 0.6918 mmHg @ 25°C📊 OPERA |
| Flash Point | 69.1 °C🔬 EPA CompTox |
| Involatility Index | 0.0663💻 Calculated |
| log Kp (skin permeability) | -2.547💻 Calculated |
| SMILES | CSSSC🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Slow💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | cabbagegarliconion• leffingwell |
| “Very powerful and diffusive, penetrating odor of fresh Onion, greener and more ethereal than the odor of the Methyl propyl trisulfide. The tenacity is extremely poor.”📖 Arctander | |
| Dimethyl trisulfide has a powerful, diffusive, penetrating odor reminiscent of fresh onion.📖 Fenaroli | |
Flavor Notes (Arctander)
| “The title trisulfide, which has been identified in the volatile portion of fresh Onion juice, has been synthesized and is used in combination with other known components of the Onion flavor to re-constitute such flavor in processed food (vegetables, soups, etc.).”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 0.001 ppm (n=27)📖 van Gemert |
Regulatory Status
| IOFI Classification | Nature Identical📖 Fenaroli |
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: DTXSID9063118
Physical Properties
| Molecular Weight | 126.25 g/mol🔬 EPA CompTox |
| Density | 1.196 g/cm^3🔬 EPA CTX |
| Boiling Point | 175.58 °C📊 OPERA |
| Melting Point | -85 °C🔬 EPA CTX |
| Flash Point | 61.389 °C📊 OPERA |
| Refractive Index | 1.598 Dimensionless📊 OPERA |
| Molar Volume | 103.457 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.641 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.641 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.641 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.43 Log10 unitless📊 OPERA |
| Water Solubility | 0.011 mol/L📊 OPERA |
| Henry's Law Constant | 0.001 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 1.634 mmHg📊 OPERA |
| Surface Tension | 37.62 dyn/cm📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 0 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 3 count💻 Computed |
| Rotatable Bonds | 2 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 35.306 cm^3/mol📊 OPERA |
| Polarizability | 13.996 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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