Isobutyl cyanoacetate

CAS Number
13361-31-4
EC Number
236-422-9
Chemical Formula
C7H11NO2
Molecular 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.

Other Names (Synonyms)

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

Key Technical Features

  • High Purity Grade standard
  • Consistent Batch Quality
  • Full Regulatory & REACH Support
  • Global Logistics Network enabled

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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

Documentation

Safety & Handling Learn More

Warning
GHS07· Irritant

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.

Trade & Regulatory

HS Code 29269090
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