n-Butyl cyanoacetate
- CAS NO.:5459-58-5
- Empirical Formula: C7H11NO2
- Molecular Weight: 141.17
- MDL number: MFCD00001941
- EINECS: 226-730-1
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-01-13 11:26:45
What is n-Butyl cyanoacetate?
Chemical properties
Clear liquid
The Uses of n-Butyl cyanoacetate
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%).
Properties of n-Butyl cyanoacetate
| Boiling point: | 230.7 °C |
| Density | 1 |
| refractive index | n |
| Flash point: | 189 °F |
| storage temp. | 2-8°C |
| form | clear liquid |
| pka | 3.06±0.10(Predicted) |
| color | APHA: ≤60 |
| Water Solubility | IMMISCIBLE |
| 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 for n-Butyl cyanoacetate
| Signal word | Warning |
| Pictogram(s) |
![]() Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for n-Butyl cyanoacetate
| InChIKey | DJACTCNGCHPGOI-UHFFFAOYSA-N |
New Products
Cyclopropane-1,1-dicarboxylic acid Cefuroxime EP Impurity-A N-Nitroso hydroxy Cetrizine EP Impurity-A Noradrenaline EP Impurity D/Noradrenaline Methyl Ether Cetirizine EP Impurity A/Cetirizine CBHP Impurity Lantanoprost rc B Clidinium Bromide Impurity tert-Butyl (2S)-[1-amino-3-(4-iodophenyl)-1-oxopropan-2-yl]carbamate 4-amino-2-fluoro-N- methylbenzamide 5-Chloro-3- Methyl -1,3-2-benzoxazol-2(3H)-one N-(2-chloropyrimidin-4-yl)-N,2,3- trimethyl-2H- indazol 6-amine N-Boc-1,4-butanediamine 4-Bromo-2-fluoro-N-methylbenzamide valeronitrile 3-chlorobenzyl cyanide 3,4 Dimethoxy Benzylcyanide 3,4 Diethoxy Benzylcyanide 2-Chloro Benzylcyanide 3-Hydroxypropionitrile 5-azidovalericacid 6,6'-bis(difluoromethoxy)-2,2'-bis((3,4-dimethoxypyridin-2-yl)methylsulfinyl)-1H,1'H-5,5'-bibenzo[d]imidazole (1-((2'-(2-((1-((2'-(2H-tetrazol-5-yl)biphenyl-4-yl)methyl)-2-butyl-4-chloro-1H-imidazol-5-yl)methyl)-2H-tetrazol-5-yl)biphenyl-4-yl)methyl)-2-butyl-4-chloro-1H-imidazol-5-yl)methanol (1-((2'-(1-((1-((2'-(2H-tetrazol-5-yl)biphenyl-4-yl)methyl)-2-butyl-4-chloro-1H-imidazol-5-yl)methyl)-1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-2-butyl-4-chloro-1H-imidazol-5-yl)methanol (4-Methoxyphenyl) hydrazine HydrochlorideRelated products of tetrahydrofuran








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