SoleChem

Isobutyl cyanoacetate

CAS
13361-31-4
EC
236-422-9
Mol. Weight
141.17 g/mol

Description

Isobutyl cyanoacetate (CAS 13361-31-4) is an ester of cyanoacetic acid used as a reactive intermediate and monomer building block across specialty chemical manufacturing. Its combination of an active methylene group and a nitrile function makes it a practical starting material.

This chemical is essential for synthesizing more complex molecules in pharmaceutical and agrochemical production. In pharmaceutical intermediate synthesis, it serves as a precursor in the construction of heterocyclic compounds and active pharmaceutical ingredient scaffolds.

Agrochemical manufacturers use it to produce crop protection compounds, particularly where the cyanoacetate moiety is incorporated into herbicide or pesticide structures. It provides a reliable backbone for these specialized agricultural applications.

In polymer chemistry, it functions as a monomer or co-monomer in the preparation of cyanoacrylate-type systems and specialty adhesive formulations. It also supports Knoevenagel condensation reactions at scale for industrial use.

These reactions enable the production of fine chemical intermediates for various downstream applications. Isobutyl cyanoacetate is supplied as a clear liquid in standard packaging suitable for bulk and intermediate-volume procurement.

Technical grade is the primary commercially available specification, with purity levels typically confirmed by GC analysis. Suppliers commonly offer this product in drum quantities for diverse manufacturing needs.

Larger bulk arrangements are available through contract or toll manufacturing channels to meet high-volume demand. The material is handled according to standard industrial safety protocols for organic esters and nitriles.

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Physical Properties

Boiling Point 116 °C @ Press: 20 Torr
Density 0.99342 g/cm³ @ Temp: 20 °C
Flash Point 106 °C
Appearance CLEAR COLOURLESS LIQUID
Color Colorless to Almost colorless
Form clear liquid
Water Solubility IMMISCIBLE
Refractive Index 1.4212-1.4232

Safety & Handling (Learn More)

Warning GHS07
Hazard Statements
H302 Harmful if swallowed
H312 Harmful in contact with skin
H315 Causes skin irritation
H319 Causes serious eye irritation
H332 Harmful if inhaled
Precautionary Statements
P261 Avoid breathing dust/fume/gas/mist/vapours/spray.
P264 Wash … thoroughly after handling.
P270 Do not eat, drink or smoke when using this product.
P271 Use only outdoors or in a well-ventilated area.
P280 Wear protective gloves/protective clothing/eye protection/face protection.
P317 Get emergency medical help.
P321 Specific treatment (see … on this label).
P330 Rinse mouth.
P501 Dispose of contents/container in accordance with local regulations.
P264+P265 Wash … thoroughly after handling.
P301+P317 Get emergency medical help.
P302+P352 IF ON SKIN: Wash with plenty of water.
P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.
P332+P317 Get emergency medical help.
P337+P317 If eye irritation persists: Get medical advice/attention. Get emergency medical help.
P362+P364 Take off contaminated clothing and wash it before reuse.
P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

Trade & Regulatory

HS Code 29269090

Documentation

Other Names

Isobutyl 2-cyanoacetate|2-methylpropyl 2-cyanoacetate|Acetic acid, cyano-, 2-methylpropyl ester|Cyanoacetic Acid Isobutyl Ester|ID1WNZ1D0S|Acetic acid, 2-cyano-, 2-methylpropyl ester|Acetic acid, cyano-, isobutyl ester

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