Phenethyl isothiocyanate
Phenethyl isothiocyanate (CAS: 2257-09-2, Formula: C6H5CH2CH2NCS, MW: 163.24) is a notable organosulfur compound. It functions as a key intermediate in chemical synthesis and a bioactive molecule with significant roles in cancer research and cell biology. Its natural occurrence in plants like horseradish also points to its relevance in nutrition research and its classification as a phytochemical. This compound is supplied by TSS for research and development purposes.
- IUPAC
- 2-Phenylethyl isothiocyanate
- Synonyms
- 2-Phenylethyl isothiocyanate

Chemical Synthesis
Phenethyl isothiocyanate serves as a versatile building block in organic synthesis, enabling the creation of more complex molecular structures.
Cancer Research
This compound is investigated for its anti-proliferative properties, making it a subject of interest in cancer research and chemopreventive studies.
Cell Biology Studies
As a bioactive small molecule, Phenethyl isothiocyanate is utilised in cell biology to understand cellular mechanisms and responses to specific chemical stimuli.
Phytochemical Research
Its presence in plants like horseradish positions it as a phytochemical for study in nutrition research and understanding plant-derived bioactivity.
| Molecular weight | 163.24 |
|---|---|
| Linear formula | C6H5CH2CH2NCS |
| Assay | 99% |
| Boiling point | 139-140 °C/11 mmHg(lit.) |
| Density | 1.094 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.5888(lit.) |
| Storage temperature | 2-8°C |


Hazard statements
- H302Harmful if swallowed
- H312Harmful in contact with skin
- H315Causes skin irritation
- H317May cause an allergic skin reaction
- H319Causes serious eye irritation
- H332Harmful if inhaled
- H334May cause allergy or asthma symptoms if inhaled
- H335May cause respiratory irritation
Precautionary statements
- P261Avoid breathing dust, fume, gas or vapours
- P280Wear protective gloves, clothing and eye/face protection
- P305IF IN EYES
- P342
| Protective equipment | Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter |
|---|---|
| Flash point | 113 °C / 235.4 °F |
| Transport (UN / ADR) | UN 2206 6.1/PG 3 |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xn |
| Risk statements (R) | 20/21/22-36/37/38-42 |
| Safety statements (S) | 23-26-36 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
| Gene Information | human ... CYP1A2(1544) |
|---|---|
| Organoleptic | green |
| Allergen | no known allergens |
Documentation
Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.
Supply & logistics
Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.
What is Phenethyl isothiocyanate used for?
+
Phenethyl isothiocyanate (CAS: 2257-09-2) is used as a building block in chemical synthesis, in cancer research for its anti-proliferative properties, in cell biology studies, and as a phytochemical in nutrition research.
What is the CAS number and chemical formula for Phenethyl isothiocyanate?
+
The CAS number is 2257-09-2 and the chemical formula is C6H5CH2CH2NCS.
What grade and purity does Tech Serve Solutions supply for Phenethyl isothiocyanate?
+
Tech Serve Solutions supplies Phenethyl isothiocyanate with an assay of 99%. We do not represent this product as USP, BP, or EP grade unless explicitly stated in the specifications.
What are the primary safety concerns when handling Phenethyl isothiocyanate?
+
Phenethyl isothiocyanate is classified as Danger. It can be harmful if swallowed, inhaled, or in contact with skin, and may cause skin and eye irritation and respiratory irritation. It may also cause an allergic skin reaction. Appropriate personal protective equipment, including gloves, eye protection, and respiratory protection, is essential.
How is Phenethyl isothiocyanate packed, shipped, and exported by TSS?
+
Phenethyl isothiocyanate is packed and shipped according to international regulations for hazardous materials. As a global supplier and exporter, TSS ensures compliance for all shipments.
How can I request a sample or quote for Phenethyl isothiocyanate?
+
To request a sample or a quote for Phenethyl isothiocyanate, please contact the TSS sales department through our website or by phone.
▶ Related products

1-(2-Fluorobenzyl)piperazine
C11H15FN2
Chemical Synthesis
1-(2-Fluorophenyl)biguanide hydrochloride
Chemical Synthesis

1-(2-Fluorophenyl)cyclopropanecarboxylic acid
C10H9FO2
Chemical Synthesis
1-(2-Fluorophenyl)piperazine
C10H13FN2
Chemical Synthesis
1-(2-Fluorophenyl)piperazine monohydrochloride
C10H13FN2 · HCl
Chemical Synthesis
1-(2-Furoyl)-1H-benzotriazole
C11H7N3O2
Chemical Synthesis
1-(2-Furoyl)piperazine
C9H12N2O2
Chemical Synthesis
1-(2-Hydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione
Chemical Synthesis
▶ Explore more

3-Methyl-1,5-di-p-tolyl-1,4-pentazadiene
Chemical Synthesis

3-Methyl-1,5-pentanediol
Chemical Synthesis

3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
C11H13N3
Chemical Synthesis
3-Methyl-1-(3′-sulfoamidophenyl)-5-pyrazolone
C10H11N3O3S
Chemical Synthesis