1,1,3,3-Tetramethylbutyl isocyanate
1,1,3,3-Tetramethylbutyl isocyanate (CAS: 1611-57-0) is an organic compound with the formula (CH3)3CCH2C(CH3)2NCO and a molecular weight of 155.24 g/mol. It serves as a valuable building block in organic synthesis. This isocyanate is primarily utilised in chemical research and development for the creation of complex molecules and functionalised materials. Its specific reactivity makes it a useful intermediate in various synthetic pathways.
- IUPAC
- tert-Octyl isocyanate
- Synonyms
- 3-Tetramethylbutyl isocyanatetert-Octyl isocyanate
Organic Synthesis Intermediate
1,1,3,3-Tetramethylbutyl isocyanate functions as a key intermediate in the synthesis of novel organic compounds. Its isocyanate group readily reacts with nucleophiles, enabling the introduction of the tert-octyl group into various molecular structures.
Research and Development
This compound is employed in laboratory settings for research purposes, facilitating the exploration of new chemical reactions and the development of innovative materials. It is particularly useful for researchers working with isocyanate chemistry.
Functionalisation of Polymers
The reactivity of the isocyanate moiety allows for its application in the functionalisation of polymers and surfaces. This can lead to modified materials with altered properties, such as hydrophobicity or reactivity.
| Molecular weight | 155.24 |
|---|---|
| Linear formula | (CH3)3CCH2C(CH3)2NCO |
| Assay | 98% |
| Boiling point | 170-172 °C(lit.) |
| Density | 0.859 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.426(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
- H335May cause respiratory irritation
Precautionary statements
- P261Avoid breathing dust, fume, gas or vapours
- P280Wear protective gloves, clothing and eye/face protection
- P305IF IN EYES
| Protective equipment | Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter |
|---|---|
| Flash point | 48 °C / 118.4 °F |
| Transport (UN / ADR) | UN 3080 6.1/PG 2 |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xn |
| Risk statements (R) | 10-20/21/22-36/37/38 |
| Safety statements (S) | 16-23-26-36/37/39 |
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 1,1,3,3-Tetramethylbutyl isocyanate used for?
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1,1,3,3-Tetramethylbutyl isocyanate is primarily used as a building block and intermediate in organic synthesis and for research and development purposes.
What are the CAS number and formula for 1,1,3,3-Tetramethylbutyl isocyanate?
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The CAS number is 1611-57-0, and its linear formula is (CH3)3CCH2C(CH3)2NCO.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 1,1,3,3-Tetramethylbutyl isocyanate with a purity of 98% (Assay). This is a technical grade suitable for research and synthesis, and TSS does not represent it as USP, BP, or EP grade.
How should 1,1,3,3-Tetramethylbutyl isocyanate be handled safely?
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1,1,3,3-Tetramethylbutyl isocyanate is flammable (H226) and harmful if swallowed, inhaled, or in contact with skin (H302, H332, H312). It can cause skin and eye irritation (H315, H319) and may cause respiratory irritation (H335). Use in a well-ventilated area, wear appropriate personal protective equipment including eyeshields, face shields, and gloves, and use a suitable respirator. Store at 2-8°C.
Is 1,1,3,3-Tetramethylbutyl isocyanate a controlled substance?
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The provided data does not indicate that 1,1,3,3-Tetramethylbutyl isocyanate is a controlled substance.
How is 1,1,3,3-Tetramethylbutyl isocyanate packed and shipped?
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1,1,3,3-Tetramethylbutyl isocyanate is typically packed according to industry standards for hazardous materials and shipped with appropriate hazard labelling in compliance with transport regulations (UN 3080, 6.1/PG 2). We export globally.
How can I request a sample or quote for 1,1,3,3-Tetramethylbutyl isocyanate?
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Please contact our sales department via the website or email to request a sample or a quotation for 1,1,3,3-Tetramethylbutyl isocyanate.
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