Acetylacetaldehyde dimethyl acetal, tech. 90%

Description

CAS: 5436-21-5 | C6H12O3 | 132.16 g/mol

Acetaldehyde dimethyl acetal is used as a flavoring agent. It is also used in the preparation of (R)-4,4-dimethoxy-2-butanol, pyrazoles and pyrimidines. Further, it is used in the preparation of N,N-diethyl-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]-pyrimidin-3-yl]acetamide and acetoacetaldehyde.

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
Acetaldehyde dimethyl acetal is used as a flavoring agent. It is also used in the preparation of (R)-4,4-dimethoxy-2-butanol, pyrazoles and pyrimidines. Further, it is used in the preparation of N,N-diethyl-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]-pyrimidin-3-yl]acetamide and acetoacetaldehyde.

Solubility
Miscible with alcohol. Immiscible with water.

Notes
Incompatible with acids and strong oxidizing agents

Specifications

Chemical Identifiers

• CAS: 5436-21-5
• Molecular Formula: C6H12O3
• Molecular Weight (g/mol): 132.16
• MDL Number: MFCD00008789
• InChI Key: PJCCSZUMZMCWSX-UHFFFAOYSA-N
• Synonym: 4,4-dimethoxy-2-butanone, acetylacetaldehyde dimethyl acetal, 2-butanone, 4,4-dimethoxy, 1,1-dimethoxy-3-butanone, acetoacetaldehyde dimethyl acetal, 3-oxobutyraldehyde dimethyl acetal, 4,4-dimethoxybutanone, acetylacetaldehyddimethylacetal, 3-ketobutyraldehyde dimethylacetal, formylacetone dimethyl acetal
• PubChem CID: 228548
• IUPAC Name: 4,4-dimethoxybutan-2-one
• SMILES: COC(CC(C)=O)OC

• Melting Point: -83°C
• Density: 0.996
• Boiling Point: 170°C to 172°C
• Flash Point: 57°C (134°F)
• Refractive Index: 1.415
• Quantity: 250 g
• UN Number: UN1224
• Beilstein: 1702372
• Solubility Information: Miscible with alcohol. Immiscible with water.
• Formula Weight: 132.16
• Percent Purity: 90%
• Grade: Technical
• Chemical Name or Material: Acetylacetaldehyde dimethyl acetal

Safety and Handling

Hazard Category	H226
Hazard Statement	GHS H Statement H226 Flammable liquid and vapor.
Precautionary Statement	P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378q-P374-P380-P501c
DOTInformation	Transport Hazard Class: 3; Packing Group: III; Proper Shipping Name: KETONES, LIQUID, N.O.S.
EINECSNumber	226-605-1
RTECSNumber	EL7592500
TSCA	Yes
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only