A13204

4-Acetylbutyric acid

97%

• Synonym(s): 5-Ketohexanoic acid
• Linear Formula: CH₃CO(CH₂)₃CO₂H
• CAS Number: 3128-06-1
• Molecular Weight: 130.14
• EC Number: 221-511-7
• MDL number: MFCD00004412
• UNSPSC Code: 12352100
• PubChem Substance ID: 24890531
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 97%
• form: liquid
• refractive index: n20/D 1.4451 (lit.)
• bp: 274-275 °C (lit.)
• mp: 13-14 °C (lit.)
• density: 1.09 g/mL at 25 °C (lit.)
• SMILES string: CC(=O)CCCC(O)=O
• InChI: 1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)
• InChI key: MGTZCLMLSSAXLD-UHFFFAOYSA-N

Description

Application

4-Acetylbutyric acid may be used in the preparation of the following compounds:

• 5-hydroxyhexanoic acid
• 6-methyl1-3,4-dihydro-pyran-2-one, precursor for 5-acetyl-tetrahydro-2-(3H)-furanone
• substituted N-aminolactams
• (±)-5-methyl-δ-valerolactone

Safety Information

• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves