tert-Butyl acetoacetate, 97%

Description

CAS: 1694-31-1 | C8H14O3 | 158.197 g/mol

tert-Butyl acetoacetate is used as intermediate for the syntheses of different organic chemicals. Raw material in pharmaceutical Industry, In agrochemical industry. Reagent for Acyloin synthesis and ?,β - unsaturated ketones synthesis.

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
tert-Butyl acetoacetate is used as intermediate for the syntheses of different organic chemicals. Raw material in pharmaceutical Industry, In agrochemical industry. Reagent for Acyloin synthesis and ∞,β - unsaturated ketones synthesis.

Solubility
Soluble in water (9g/L).

Notes
Keep container tightly closed. Store away from oxidizing agents.

Specifications

Chemical Identifiers

• CAS: 1694-31-1
• Molecular Formula: C8H14O3
• Molecular Weight (g/mol): 158.197
• MDL Number: MFCD00008811
• InChI Key: JKUYRAMKJLMYLO-UHFFFAOYSA-N
• Synonym: tert-butyl acetoacetate, t-butyl acetoacetate, butanoic acid, 3-oxo-, 1,1-dimethylethyl ester, acetoacetic acid, tert-butyl ester, tert-butyl 3-oxobutyrate, acetoacetic acid tert-butyl ester, unii-1d3dos61gx, tbaa, 1d3dos61gx, t-butylacetoacetate
• PubChem CID: 15538
• IUPAC Name: tert-butyl 3-oxobutanoate
• SMILES: CC(=O)CC(=O)OC(C)(C)C

• Melting Point: -38°C
• Density: 0.961
• pH: 5.7
• Boiling Point: 71°C to 72°C (11 mmHg)
• Flash Point: 76°C (169°F)
• Odor: Pleasant
• Refractive Index: 1.42
• Quantity: 500 g
• Beilstein: 1680303
• Solubility Information: Soluble in water (9g/L).
• Formula Weight: 158.2
• Percent Purity: ≥98%
• Chemical Name or Material: tert-Butyl acetoacetate

Safety and Handling

Hazard Category	H227
Hazard Statement	GHS H Statement H227 Combustible liquid.
Precautionary Statement	P210-P280-P370+P378q-P501c
EINECSNumber	216-904-5
TSCA	Yes
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only