Allyl isothiocyanate
Allyl isothiocyanate (CAS: 57-06-7) is an organic compound with the linear formula CH2=CHCH2NCS and a molecular weight of 99.15 g/mol. This pungent, colourless to pale yellow liquid is known for its strong odour, reminiscent of mustard. It serves as a valuable building block in organic synthesis and finds applications in cell biology and nutrition research due to its unique chemical properties.
- IUPAC
- AITC,Oil of mustard
- Synonyms
- AITCOil of mustardIsothiocyanic acid, allyl ester
Organic Synthesis Building Block
Allyl isothiocyanate is utilized as a versatile intermediate in the synthesis of various organic compounds. Its reactive isothiocyanate group allows for diverse chemical transformations, making it valuable for creating more complex molecules.
Cell Biology Research
In cell biology, Allyl isothiocyanate is employed to study cellular mechanisms and responses. Its biological activity can be leveraged to investigate cellular pathways or as a tool in specific experimental contexts.
Nutrition Research
This compound is relevant in nutrition research, particularly concerning phytochemicals found in plants like horseradish. It can be used to study the metabolic fate or biological effects of such compounds.
Phytochemical Studies
Allyl isothiocyanate is a key phytochemical associated with plants like Armoracia rusticana (horseradish). Researchers use it to investigate the properties and potential applications of natural compounds derived from food and spice sources.
| Molecular weight | 99.15 |
|---|---|
| Linear formula | CH2=CHCH2NCS |
| Assay | 95% |
| Grade | purum |
| Boiling point | 150 °C(lit.) |
| Density | 1.013 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.529(lit.) |
| Melting point | −80 °C(lit.) |
| Storage temperature | 2-8°C |
| Contains / stabiliser | BHT as stabilizer |
Hazard statements
- H301Toxic if swallowed
- H310Fatal in contact with skin
- H315Causes skin irritation
- H317May cause an allergic skin reaction
- H319Causes serious eye irritation
- H334May cause allergy or asthma symptoms if inhaled
- H410N
Precautionary statements
- P261Avoid breathing dust, fume, gas or vapours
- P273Avoid release to the environment
- P280Wear protective gloves, clothing and eye/face protection
- P301IF SWALLOWED
- P302IF ON SKIN
- P305IF IN EYES
| Protective equipment | Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter |
|---|---|
| Transport (UN / ADR) | UN 1545 6.1/PG 2 |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | T,N |
| Risk statements (R) | 23/24/25-36/37/38-42/43-50/53 |
| Safety statements (S) | 23-26-36/37-45-61 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
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 Allyl isothiocyanate used for?
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Allyl isothiocyanate (CAS 57-06-7) is primarily used as a building block in organic synthesis, and in research applications within cell biology and nutrition research. It is a notable phytochemical found in plants such as horseradish.
What are the CAS number and formula for Allyl isothiocyanate?
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The CAS number for Allyl isothiocyanate is 57-06-7, and its linear formula is CH2=CHCH2NCS.
What grade and purity does Tech Serve Solutions supply for Allyl isothiocyanate?
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Tech Serve Solutions supplies Allyl isothiocyanate with a purity of 95% (grade: purum). This product is intended for research and laboratory use and is not represented as USP, BP, or EP grade.
How should Allyl isothiocyanate be handled safely?
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Allyl isothiocyanate is a hazardous substance (GHS06, GHS08, GHS09; Danger) that is toxic if swallowed or inhaled, toxic in contact with skin, causes skin irritation, may cause an allergic skin reaction, causes serious eye irritation, and may cause allergy or asthma symptoms or breathing difficulties if inhaled. It is also toxic to aquatic life with long-lasting effects. Always use with appropriate personal protective equipment, including eyeshields, faceshields, gloves, and a suitable respirator, in a well-ventilated area. Consult the Safety Data Sheet for detailed handling information.
How is Allyl isothiocyanate packed and shipped?
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Allyl isothiocyanate is packed and shipped according to relevant transport regulations (UN 1545, Class 6.1, Packing Group II) to ensure safe delivery. Storage at 2-8°C is recommended.
How can I request a sample or quote for Allyl isothiocyanate?
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To request a sample or a quote for Allyl isothiocyanate, please use the contact form on the Tech Serve Solutions website or contact our sales department directly.
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