Isobutyl cyanoacetate

CAS Number
13361-31-4
EC Number
236-422-9

What is Isobutyl cyanoacetate?

Isobutyl cyanoacetate (CAS 13361-31-4) is an ester of cyanoacetic acid used as a reactive intermediate and monomer building block in specialty chemical manufacturing.

Where is Isobutyl cyanoacetate used?

  • Pharmaceutical intermediates: precursor for heterocyclic compounds and active pharmaceutical ingredient scaffolds
  • Agrochemicals: crop protection compounds incorporating the cyanoacetate moiety into herbicide or pesticide structures
  • Polymer chemistry: monomer or co-monomer in cyanoacrylate-type systems and specialty adhesive formulations
  • It also supports Knoevenagel condensation reactions at scale for industrial use.

Good to know: Its active methylene group and nitrile function make it a practical starting material. Technical grade is the primary commercially available specification, with purity levels typically confirmed by GC analysis.

Commercial specifications

  • Purity confirmed by GC analysis
  • Drum quantities; larger bulk through contract or toll manufacturing

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

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What are the physical properties of Isobutyl cyanoacetate?

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

How is Isobutyl cyanoacetate classified and handled safely? 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.

Which trade and regulatory codes apply to Isobutyl cyanoacetate?

HS Code 29269090
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