Skip to Content
Merck
All Photos(1)

Key Documents

Safety Information

245704

Sigma-Aldrich

Butyl cyanoacetate

95%

Sign Into View Organizational & Contract Pricing


About This Item

Linear Formula:
NCCH2CO2(CH2)3CH3
CAS Number:
Molecular Weight:
141.17
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

95%

refractive index

n20/D 1.425 (lit.)

bp

115 °C/15 mmHg (lit.)

density

0.993 g/mL at 25 °C (lit.)

functional group

ester
nitrile

SMILES string

CCCCOC(=O)CC#N

InChI

1S/C7H11NO2/c1-2-3-6-10-7(9)4-5-8/h2-4,6H2,1H3

InChI key

DJACTCNGCHPGOI-UHFFFAOYSA-N

Looking for similar products? Visit Product Comparison Guide

General description

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

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

188.6 °F - closed cup

Flash Point(C)

87 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

245704-100G:
245704-100ML:4548173124025
245704-VAR:
245704-BULK:


Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Iridium catalysed alkylation of tert-butyl cyanoacetate with alcohols under solvent free conditions.
Tetrahedron, 65(4), 849-854 (2009)

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service