bis-(Methylthio)methane (CAS 1618-26-4) — Spicy Middle Note Fragrance Ingredient
bis-(Methylthio)methane
CAS 1618-26-4
What Is bis-(Methylthio)methane?
Bis-(Methylthio)methane is a synthetic sulfur compound used in perfumery to create intense, savory aromas. You’ll encounter it in gourmand fragrances and savory flavorings. This molecule matters because it adds a unique meaty, roasted onion character that’s irreplaceable in modern fragrance design, especially for creating umami effects.
Safety Profile
USE WITH AWARENESSWhat Does bis-(Methylthio)methane Smell Like?
Bis-(Methylthio)methane delivers a powerful, diffusive punch of savory complexity – imagine roasted garlic simmering in meat drippings, with sulfurous undertones of black truffle and fried shallots. The initial blast evolves into a more refined, brothy character reminiscent of premium soy sauce. In drydown, it leaves a lingering umami impression that enhances other gourmand notes. This workhorse material bridges the gap between savory and sweet in modern perfumery.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used at trace levels to amplify the oud’s leathery facets, creating a smoky, almost barbecued meat effect that contrasts beautifully with rose.
Provides the signature asphalt-meets-truffle effect, blending with cannabis and oud notes for an illicit, underground club atmosphere.
2D Molecular Structure
SMILES: CSCSC
Chemistry, Properties & Perfumer Guide
The Chemistry
Bis-(Methylthio)methane is an organosulfur compound with two methylthio groups attached to a central methane carbon. Synthesized through reactions between methanethiol and formaldehyde, this molecule exemplifies the ‘meaty’ sulfur compounds prized in flavor and fragrance. The methylthio (-SCH3) groups are responsible for its characteristic sulfuraceous odor profile. While not found in nature, it mimics compounds created during Maillard reactions in cooked foods.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Odor Threshold | Extremely low (ppb range) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.01-0.1% | Up to 0.5% | Used at trace levels for savory effects |
| Flavor | 1-5 ppm | Up to 10 ppm | Creates meaty, roasted notes |
Classic Accords
Tip: Always pre-dilute to 1% or lower before blending due to extreme potency.
Alternatives & Comparisons
When a more specifically meaty, roasted character is needed without the onion aspects.
For a softer, potato-like sulfur note that integrates more smoothly in floral compositions.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions. General sulfur compound guidelines apply.
GHS Classification
RIFM Assessment
RIFM evaluation pending. Use with caution until full safety assessment completed.
Sustainability
As a synthetic material, bis-(Methylthio)methane avoids agricultural impacts but requires energy-intensive synthesis. Modern production methods aim to minimize sulfur waste streams. Being highly potent, its carbon footprint per dose is relatively low compared to natural alternatives.
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Physicochemical Properties
DTXSID: DTXSID0061822
Physical Properties
| Molecular Weight | 108.22 g/mol🔬 EPA CompTox |
| Density | 1.07 g/cm^3🔬 EPA CTX |
| Boiling Point | 147.75 °C🔬 EPA CTX |
| Melting Point | -50.273 °C📊 OPERA |
| Flash Point | 42 °C🔬 EPA CTX |
| Refractive Index | 1.515 Dimensionless📊 OPERA |
| Molar Volume | 105.994 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 104.155 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 1.583 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.583 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 3.75 Log10 unitless📊 OPERA |
| Water Solubility | 0.11 mol/L📊 OPERA |
| Henry's Law Constant | 0.002 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 4.444 mmHg🔬 EPA CTX |
| Viscosity | 0.868 cP📊 OPERA |
| Surface Tension | 30.011 dyn/cm📊 OPERA |
| Thermal Conductivity | 119.542 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 0 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 | 31.942 cm^3/mol📊 OPERA |
| Polarizability | 12.663 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.
