Phenethyl isothiocyanate (CAS 2257-09-02) — Spicy Top to Heart Note Fragrance Ingredient
Phenethyl isothiocyanate
CAS 2257-09-02
What Is Phenethyl isothiocyanate?
Phenethyl isothiocyanate is a synthetic compound used in specialty fragrances and flavorings. It’s found in trace amounts in some cruciferous vegetables like mustard and horseradish. This ingredient matters because it adds a sharp, pungent character that can enhance spicy or herbal fragrance compositions.
Safety Profile
USE WITH AWARENESSWhat Does Phenethyl isothiocyanate Smell Like?
Phenethyl isothiocyanate delivers an intensely sharp, biting aroma reminiscent of freshly grated horseradish or wasabi. The initial burst is aggressively pungent with a sulfurous, mustard-like character that evolves into a lingering spicy-heart note. In dry-down, it leaves a warm, slightly metallic impression that works well in oriental and chypre bases when used sparingly.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a trace modifier to amplify the black pepper and saffron notes, adding a dangerous edge to this masculine oriental composition.
Provides an authentic spicy-gourmand facet that complements the cardamom and nutmeg in this unisex winter fragrance.
Chemistry, Properties & Perfumer Guide
The Chemistry
Phenethyl isothiocyanate belongs to the organosulfur compound class, specifically the isothiocyanate family. While occurring naturally in some plants as a defense compound, commercial production typically involves the reaction of phenethylamine with carbon disulfide followed by oxidation. The molecule’s reactivity comes from the -N=C=S functional group which readily forms covalent bonds with nucleophiles.
Physical & Chemical Properties
| Boiling Point | Not well documented |
|---|---|
| Density | ~1.1 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.01-0.1% | Up to 0.5% | Extremely potent – use sparingly |
| Functional Fragrance | Not recommended | Avoid | Too irritating for most applications |
Classic Accords
Tip: Always dilute to 1% or less before incorporating into blends due to extreme potency.
Alternatives & Comparisons
A less persistent but similarly pungent alternative that works better in fresh applications where quick evaporation is desired.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA but falls under general precautions for sulfur compounds.
GHS Classification
RIFM Assessment
Limited safety data available – recommended for professional use only at minimal concentrations.
Sustainability
Synthetic production avoids agricultural impacts but requires careful handling due to toxicity. Not considered environmentally persistent but should be prevented from entering waterways.
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References
- Fenwick et al. (1983). The mustard oil of cruciferous plants. Phytochemistry. DOI:10.1016/0031-9422(83)83002-0
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
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