Methallyl isothiocyanate
Methallyl isothiocyanate (CAS: 41834-90-6; Formula: CH2=C(CH3)CH2NCS) is a reactive organic compound with a molecular weight of 113.18 g/mol. It functions as a versatile building block in organic synthesis. Its isothiocyanate group and allyl moiety allow for participation in various chemical transformations, making it valuable for the construction of more complex molecules in research and industrial chemical applications. It is typically supplied for laboratory and research purposes.

Organic Synthesis Intermediate
Methallyl isothiocyanate serves as a key intermediate in the synthesis of diverse organic compounds. Its reactive nature facilitates its incorporation into various chemical structures, aiding in the development of novel materials and molecules.
Building Block for Heterocycles
The compound is utilised as a building block for the synthesis of sulfur- and nitrogen-containing heterocyclic compounds. These structures are important in medicinal chemistry and materials science research.
Research and Development
Primarily used in academic and industrial research laboratories, Methallyl isothiocyanate enables chemists to explore new synthetic routes and discover novel chemical entities due to its unique functional groups.
| Molecular weight | 113.18 |
|---|---|
| Linear formula | CH2=C(CH3)CH2NCS |
| Boiling point | 69 °C/20 mmHg(lit.) |
| Density | 0.993 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.524(lit.) |
| Storage temperature | 2-8°C |



Hazard statements
- H226Flammable liquid and vapour
- H302Harmful if swallowed
- H312Harmful in contact with skin
- H315Causes skin irritation
- 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 | 57 °C / 134.6 °F |
| Transport (UN / ADR) | UN 1993C 3 / PGIII |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xn |
| Risk statements (R) | 10-20/21/22-36/37/38-42 |
| Safety statements (S) | 26-36 |
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 Methallyl isothiocyanate used for?
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Methallyl isothiocyanate is used as a building block in organic synthesis, particularly for creating heterocyclic compounds and exploring new chemical entities in research and development laboratories.
What are the CAS number and formula for Methallyl isothiocyanate?
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The CAS number for Methallyl isothiocyanate is 41834-90-6, and its chemical formula is CH2=C(CH3)CH2NCS.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies Methallyl isothiocyanate typically as a research or technical grade chemical. We do not represent it as USP, BP, EP, or pharmacopoeia grade unless explicitly stated otherwise in the product specifications. Please refer to the certificate of analysis for specific purity details.
How should Methallyl isothiocyanate be handled safely?
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Methallyl isothiocyanate is a flammable liquid and vapour (H226) and is harmful if swallowed, in contact with skin, or inhaled (H302, H312, H332). It also causes skin irritation (H315), serious eye irritation (H319), respiratory irritation (H335), and can cause allergy or asthma symptoms or breathing difficulties if inhaled (H334). Always use appropriate personal protective equipment, including safety goggles, gloves, and ensure adequate ventilation or use a respirator. Refer to the Safety Data Sheet for comprehensive handling instructions.
How is Methallyl isothiocyanate packed, shipped, and exported?
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Methallyl isothiocyanate is carefully packed according to international shipping regulations for hazardous materials, including UN 1993. TSS exports globally, ensuring compliance with all relevant transport and customs requirements for chemicals.
How can I request a sample or quote for Methallyl isothiocyanate?
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To request a sample or a quote for Methallyl isothiocyanate, please contact our sales department via the website or provide your requirements through the online inquiry form, including your preferred quantity and shipping destination.
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