Pivaloylacetonitrile

Synonym(s):Pivaloylacetonitrile

CAS NO.：59997-51-2
Empirical Formula: C7H11NO
Molecular Weight: 125.17
MDL number: MFCD00010208
EINECS: 262-017-1
SAFETY DATA SHEET (SDS)
Update Date: 2025-10-25 08:05:52

What is Pivaloylacetonitrile?

Chemical properties

white to cream crystals or crystalline powder

The Uses of Pivaloylacetonitrile

Trimethylacetylacetonitrile is a useful intermediate. 4,4-Dimethyl-3-oxopentanenitrile has been used in the preparation of 4,4-dimethyl-3-oxo-2-benzylpentanenitrile, 4,4-dimethyl-3-oxo-2-(4-hydroxybenzyl)pentanenitrile, 4,4-dimethyl-3-oxo-2-(4-methoxybenzyl)pentanenitrile, 4,4-dimethyl-3-oxo-2-(4-fluorobenzyl)pentanenitrile, 4,4-dimethyl-3-oxo-2-(3,4-methylenedioxybenzyl)pentanenitrile, 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-phenylurea.

What are the applications of Application

4,4-Dimethyl-3-oxopentanenitrile is a useful intermediate

Properties of Pivaloylacetonitrile

Melting point:	66-69 °C(lit.)
Boiling point:	125-126 °C22 mm Hg(lit.)
Density	1.0459 (rough estimate)
refractive index	1.4693 (estimate)
storage temp.	Keep in dark place,Sealed in dry,Room Temperature
form	Crystals or Crystalline Powder
pka	10.25±0.10(Predicted)
color	White to cream
Water Solubility	Insoluble in water.
BRN	1746674
CAS DataBase Reference	59997-51-2(CAS DataBase Reference)
NIST Chemistry Reference	4,4-Dimethyl-3-oxopentanenitrile(59997-51-2)
EPA Substance Registry System	Pentanenitrile, 4,4-dimethyl-3-oxo- (59997-51-2)

Safety information for Pivaloylacetonitrile

Signal word	Danger
Pictogram(s)	Skull and Crossbones Acute Toxicity GHS06
GHS Hazard Statements	H301:Acute toxicity,oral
Precautionary Statement Codes	P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P321:Specific treatment (see … on this label). P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P405:Store locked up.