380067

4,4-Dimethoxy-2-butanone

technical grade, ≥90%

• Synonym(s): 3-Oxobutyraldehyde dimethylacetal, 3-Ketobutyraldehyde dimethyl acetal, 4,4-Dimethoxy-2-butanone, Acetylacetaldehyde dimethylacetal
• Linear Formula: CH₃COCH₂CH(OCH₃)₂
• CAS Number: 5436-21-5
• Molecular Weight: 132.16
• Beilstein/REAXYS Number: 1702372
• EC Number: 226-605-1
• MDL number: MFCD00008789
• UNSPSC Code: 12352100
• PubChem Substance ID: 24863716
• NACRES: NA.22

Properties

• grade: technical grade
• Quality Level: 100
• assay: ≥90%
• form: liquid
• refractive index: n20/D 1.414 (lit.)
• bp: 70-73 °C/20 mmHg (lit.)
• density: 0.996 g/mL at 25 °C (lit.)
• functional group: acetal; ether; ketone
• SMILES string: COC(CC(C)=O)OC
• InChI: 1S/C6H12O3/c1-5(7)4-6(8-2)9-3/h6H,4H2,1-3H3
• InChI key: PJCCSZUMZMCWSX-UHFFFAOYSA-N

Description

General description

4,4-Dimethoxy-2-butanone (Acetylacetaldehyde dimethylacetal) is a ketone.

Application

4,4-Dimethoxy-2-butanone (β-ketobutyracetal) may be used in the preparation of:

• (R)-4,4-dimethoxy-2-butanol
• pyrazoles and pyrimidines
• [7,16-dihydro- 6,15( 17)-dimetbyldibenzo[b,i]-[1,4,8,11]tetrilazacyclotetradecinato-N⁵,N⁹,N¹⁴,N¹⁸]nickel{II)

4,4-Dimethoxy-2-butanone (Acetylacetaldehyde dimethylacetal) may be used in the preparation of N,N-diethyl-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]-pyrimidin-3-yl]acetamide and acetoacetaldehyde.

Safety Information

• pictograms: GHS02
• signalword: Warning
• hcodes: H226
• pcodes: P210 - P233 - P240 - P241 - P242 - P243
• Hazard Classifications: Flam. Liq. 3
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 2
• flash_point_f: 134.6 °F - closed cup
• flash_point_c: 57 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter