n-Butyl cyanoacetate Chemical Properties

Boiling point:

230.7 °C

Density 

1

refractive index 

n20/D 1.425(lit.)

Flash point:

189 °F

storage temp. 

2-8°C

form 

clear liquid

pka

3.06±0.10(Predicted)

color 

APHA: ≤60

Water Solubility 

IMMISCIBLE

InChIKey

DJACTCNGCHPGOI-UHFFFAOYSA-N

CAS DataBase Reference

5459-58-5(CAS DataBase Reference)

NIST Chemistry Reference

n-Butyl cyanoacetate(5459-58-5)

EPA Substance Registry System

Acetic acid, cyano-, butyl ester (5459-58-5)

Safety Information

Hazard Codes 

Xn

Risk Statements 

20/21/22-36/37/38

Safety Statements 

26-27-36/37/39

RIDADR 

UN 3276 6.1/PG 3

WGK Germany 

3

RTECS 

AG3692500

PackingGroup 

III

HS Code 

29269090

MSDS

• Language:English Provider:Butyl cyanoacetate
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

n-Butyl cyanoacetate Usage And Synthesis

Chemical Properties

Clear liquid

Uses

Butyl cyanoacetate is used as intermediate for numerous organic syntheses, e.g. alpha-cyanoacrylic adhesives. Product Data Sheet

General Description

tert-Butyl cyanoacetate undergoes alkylation with many substituted benzyl and heteroalyl alcohols to form the corressponding alpha-alkylated products.

Synthesis

To a well-stirred mixture of cyano acid (80 mmol) in alcohol (90 mmol), and acetonitrile (162 mmol) , added sulfuric acid (98%, 94 mmol, 5 mL) at room temperature and temperature maintained between 80-85°C for 16-18h. The reaction mixture was cooled and added to 20% sodium carbonate solution (100 mL). The reaction mass was extracted in CH2Cl2 (50 mL × 2). The combined organic layer was washed with water (100 mL), dried over sodium sufate, and concentrated under reduced pressure to obtain n-Butyl cyanoacetate (85-95%).

n-Butyl cyanoacetate(5459-58-5)Related Product Information

• Isobutyl acetate
• Ethyl cyanoacetate
• Dibutyl phthalate
• Cyhalofop-butyl
• tert-Butyl bromoacetate
• DL-sec-Butyl acetate
• tert-Butyl acetate
• Butyl acetate
• Buprofezin
• Butyl 2-chloroacetate
• enbucrilate
• BUTYL OLEATE
• CYCLOHEXYL CYANOACETATE
• Octyl cyanoacetate
• 2-Ethylhexyl cyanoacetate
• 2-ETHYLHEXYL ALPHA-CYANO-3,4-METHYLENEDIOXYCINNAMATE
• 2-Ethylhexyl 2-cyano-5-phenyl-2,4-pentadienoate
• Octocrylene