Allyl disulfide (CAS 2179-57-9) — Spicy Top Note Fragrance Ingredient
Allyl disulfide
CAS 2179-57-9
What Is Allyl disulfide?
Allyl disulfide is a synthetic sulfur compound that gives garlic and onions their pungent, spicy aroma. It’s found in trace amounts in nature but is primarily created in labs for food flavorings and fragrances. This potent molecule matters because it adds realistic alliaceous (garlic-like) notes to savory accords, though perfumers use it sparingly due to its intense character.
Safety Profile
USE WITH AWARENESSWhat Does Allyl disulfide Smell Like?
Allyl disulfide explodes with a sharp, piercing garlic-onion punch that dominates the top notes. The initial assault mellows slightly into a warm, metallic sulfuraceous heart with hints of roasted shallots and charred meat. In dry-down, it leaves lingering savory traces akin to fried garlic chips, blending well with other sulfur compounds but easily overwhelming delicate florals if overdosed.
2D Molecular Structure
SMILES: C=CCSSCC=C
Chemistry, Properties & Perfumer Guide
The Chemistry
Allyl disulfide belongs to the organosulfur compound class, featuring two allyl groups (-CH2CH=CH2) bonded to a disulfide bridge (-S-S-). While present naturally in Allium species, commercial production typically involves reacting allyl mercaptan with sulfur or oxidizing allyl thiols. This small, volatile molecule lacks chirality but exhibits strong reactivity due to the labile disulfide bond.
Physical & Chemical Properties
| Odor Threshold | Extremely low (ppb range) |
|---|---|
| Solubility | Soluble in alcohol, oils |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.001-0.01% | Up to 0.05% | Used for savory gourmand effects |
| Flavorings | 1-10 ppm | Up to 50 ppm | Authentic garlic replication |
Classic Accords
Tip: Always pre-dilute to 1% or lower before blending to avoid overwhelming compositions.
Alternatives & Comparisons
Slightly less aggressive with similar profile; better for sustained alliaceous effects.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not specifically restricted by IFRA but falls under general sulfur compound guidelines (Amendment 49).
GHS Classification
RIFM Assessment
RIFM considers safe at current usage levels but recommends minimal dermal exposure.
Sustainability
Synthetic production avoids agricultural impacts but requires careful waste management due to sulfur content. No known natural sustainable sources exist at commercial scale.
Explore Allyl disulfide
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
References
- Block, E. (2010). Garlic and Other Alliums. RSC Publishing.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 2179-57-9Physical Properties
| Molecular Weight | 146.3 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.2🔬 PubChem |
| Boiling Point | 79 °C🔬 EPA CompTox |
| Vapor Pressure | 1 mmHg @ 25°C📊 OPERA |
| Flash Point | 42.4 °C🔬 EPA CompTox |
| Involatility Index | 0.0891💻 Calculated |
| log Kp (skin permeability) | -2.03💻 Calculated |
| SMILES | C=CCSSCC=C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Slow💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | garlicpungent• leffingwell |
| Functional Groups | alkene💻 RDKit |
| “Pungent odor, not truly reminiscent of Garlic, but heavier, more "sulfide-like", obnoxious odor.”📖 Arctander | |
| Allyl disulfide has characteristic garlic odor. It is used as a flavor enhancer, flavoring agent or adjuvant.📖 Fenaroli | |
Flavor Notes (Arctander)
| “Taste – only in extreme dilutions resembling that of Garlic. Used in flavor compositions, mainly for imitation Garlic, Onion, Spice-blends, etc.”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 0.0768 ppm (n=7)📖 van Gemert |
Regulatory Status
| FEMA Number | FEMA 2028⚖️ FEMA GRAS |
| GRAS Status | Generally Recognized as Safe⚖️ FEMA GRAS |
| 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: DTXSID9035206
Physical Properties
| Molecular Weight | 146.27 g/mol🔬 EPA CompTox |
| Density | 1.007 g/cm^3🔬 EPA CTX |
| Boiling Point | 163 °C🔬 EPA CTX |
| Melting Point | -64.6 °C📊 OPERA |
| Flash Point | 42.475 °C🔬 EPA CTX |
| Refractive Index | 1.534 Dimensionless📊 OPERA |
| Molar Volume | 145.702 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.951 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.951 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.951 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.86 Log10 unitless📊 OPERA |
| Water Solubility | 0.019 mol/L📊 OPERA |
| Henry's Law Constant | 0.001 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 1 mmHg🔬 EPA CTX |
| Surface Tension | 32.543 dyn/cm📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 0 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 5 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 45.291 cm^3/mol📊 OPERA |
| Polarizability | 17.955 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.
Related Research
- 2-Methylundecanal dimethyl acetal (CAS 68141-17-3) — Citrus Top to middle Note Fragrance Ingredient
- Phenol, 4-(1-methylpropyl)- (CAS 99-71-8) — Woody Base Note Fragrance Ingredient
- Isohexenyl cyclohexenyl carboxaldehyde (CAS 37677-14-8) — Floral Heart Note Fragrance Ingredient
- Hexanoic acid, 2-ethyl-, methyl ester (CAS 816-19-3) — Sweet Top to Middle Note Fragrance Ingredient
![Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)met -hylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, disodium salt (CAS 3844-45-9) — Citrus N/A Note Fragrance Ingredient](https://thegoodscents.company/wp-content/uploads/2026/04/benzenemethanaminium-n-ethyl-n-4-4-ethyl-1-3-768x439.webp)
