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Ethyl 6-isocyanatohexanoate

CAS 5100-36-7OCN(CH2)5CO2C2H5Chemical Synthesis

Ethyl 6-isocyanatohexanoate (CAS: 5100-36-7) is a versatile organic building block with the linear formula OCN(CH2)5CO2C2H5 and a molecular weight of 185.22 g/mol. This compound is valuable in chemical synthesis due to its reactive isocyanate group and ester functionality. It serves as a key intermediate for creating more complex molecules, finding utility in various research and development applications within organic chemistry.

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Ethyl 6-isocyanatohexanoate (OCN(CH2)5CO2C2H5) — chemical structure, CAS 5100-36-7; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksChemical SynthesisIsocyanatesNitrogen CompoundsOrganic Building Blocks
01 /Applications

Polymer Synthesis

The isocyanate functionality allows Ethyl 6-isocyanatohexanoate to participate in polymerisation reactions, such as the formation of polyurethanes. It can be used to introduce specific side chains or cross-linking points into polymer structures.

Organic Synthesis Intermediate

This chemical acts as a bifunctional building block for the synthesis of diverse organic compounds. The ester and isocyanate groups can be selectively reacted to construct complex molecular architectures.

Derivatisation Reagent

It can be employed to derivatise molecules containing active hydrogen atoms, such as amines or alcohols, for analytical or synthetic purposes. This reaction modifies the properties of the parent molecule.

02 /Properties
Molecular weight185.22
Linear formulaOCN(CH2)5CO2C2H5
Assay98%
Boiling point253 °C(lit.)
Density1.032 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.439(lit.)
Storage temperature2-8°C
03 /Safety & handling
GHS hazard pictogram: Harmful / irritant (GHS07)
Harmful / irritant
Warning

Hazard statements

  • H302Harmful if swallowed
  • H312Harmful in contact with skin
  • H319Causes serious eye irritation
  • H332Harmful if inhaled

Precautionary statements

  • P280Wear protective gloves, clothing and eye/face protection
  • P305IF IN EYES
Protective equipmentEyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Water hazard class (WGK, DE)3
Hazard codes (EU)Xn
Risk statements (R)20/21/22-36
Safety statements (S)23-26-36/37/39

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry
CAS number
5100-36-7
MDL number
MFCD00078410
05 /Quality & supply

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.

06 /Frequently asked questions

What is Ethyl 6-isocyanatohexanoate used for?

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Ethyl 6-isocyanatohexanoate is primarily used as a building block in organic synthesis and for the preparation of polymers. Its reactive isocyanate group enables it to participate in various chemical transformations and polymerisation reactions.

What is the CAS number and formula for Ethyl 6-isocyanatohexanoate?

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The CAS number for Ethyl 6-isocyanatohexanoate is 5100-36-7, and its linear formula is OCN(CH2)5CO2C2H5.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies Ethyl 6-isocyanatohexanoate with an assay of 98%. We do not represent this product as USP, BP, or EP grade.

How should Ethyl 6-isocyanatohexanoate be handled safely?

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Ethyl 6-isocyanatohexanoate is classified as harmful if swallowed, in contact with skin, or if inhaled, and causes serious eye irritation. Appropriate personal protective equipment, including eyeshields, face shields, gloves, and respiratory protection (e.g., multi-purpose combination respirator cartridge or ABEK respirator filter), is essential. Handle in a well-ventilated area.

How is Ethyl 6-isocyanatohexanoate packed and shipped?

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Ethyl 6-isocyanatohexanoate is available from Tech Serve Solutions, a global supplier and exporter of fine chemicals. Packaging and shipping adhere to relevant safety and regulatory standards for chemical transport.

How can I request a quote or sample?

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To request a quote or sample of Ethyl 6-isocyanatohexanoate, please contact our sales department through the TSS website or by calling our customer service line.

Need Ethyl 6-isocyanatohexanoate in a specific grade or volume?