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4-acetylbutyric acid Structure

4-acetylbutyric acid

Chemical Properties

Melting point 13-14 °C(lit.)
Boiling point 274-275 °C(lit.)
Density  1.09 g/mL at 25 °C(lit.)
refractive index  n20/D 1.4451(lit.)
Flash point >230 °F
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Off-White Semi-Solid
pka 4.63±0.10(Predicted)
color  Colorless to Red to Green
Water Solubility  Slightly soluble in water, chloroform and methanol.
BRN  385840
InChI 1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)
InChIKey MGTZCLMLSSAXLD-UHFFFAOYSA-N
SMILES CC(=O)CCCC(O)=O
CAS DataBase Reference 3128-06-1(CAS DataBase Reference)
NIST Chemistry Reference 4-Acetylbutyric acid(3128-06-1)
EPA Substance Registry System Hexanoic acid, 5-oxo- (3128-06-1)

Safety Information

Risk Statements  36/38
Safety Statements  26-36-24/25
WGK Germany  3
TSCA  TSCA listed
HS Code  29183000
Storage Class 10 - Combustible liquids

MSDS

Usage And Synthesis

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