Trimethylacetylacetonitrile, 99%, Thermo Scientific Chemicals

Description

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.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
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.

Solubility
Insoluble in water.

Notes
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Store away from strong oxidizing agents, bases.

Specifications

Chemical Identifiers

• CAS: 59997-51-2
• Molecular Formula: C7H11NO
• Molecular Weight (g/mol): 125.171
• MDL Number: MFCD00010208
• InChI Key: MXZMACXOMZKYHJ-UHFFFAOYSA-N
• Synonym: pivaloylacetonitrile, trimethylacetylacetonitrile, 4,4-dimethyl-3-oxovaleronitrile, pentanenitrile, 4,4-dimethyl-3-oxo, 4,4-dimethyl-3-oxo-pentanenitrile, cyanopinacolone, pivaloyl acetonitrile, 1-cyano-3,3-dimethyl-2-butanone, valeronitrile, 4,4-dimethyl-3-oxo, pyvaolylacetonitrile
• PubChem CID: 108871
• IUPAC Name: 4,4-dimethyl-3-oxopentanenitrile
• SMILES: CC(C)(C)C(=O)CC#N

• Melting Point: 66°C to 70°C
• Quantity: 25 g
• UN Number: UN3439
• Beilstein: 1746674
• Solubility Information: Insoluble in water.
• Formula Weight: 125.17
• Percent Purity: 99%
• Chemical Name or Material: Trimethylacetylacetonitrile

Safety and Handling

Hazard Category	H301-H312+H332-H315-H319-H335
Hazard Statement	GHS H Statement H301 Toxic if swallowed.
Precautionary Statement	P261-P264b-P270-P271-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P362-P501c
DOTInformation	Transport Hazard Class: 6.1; Packing Group: III; Proper Shipping Name: NITRILES, SOLID, TOXIC, N.O.S.
EINECSNumber	262-017-1
RTECSNumber	SA2991000
TSCA	Yes
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only