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)
pka 4.63±0.10(Predicted)
form  Off-White Semi-Solid
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)
FDA UNII RO0W8YUJ2W
NIST Chemistry Reference 4-Acetylbutyric acid(3128-06-1)
EPA Substance Registry System Hexanoic acid, 5-oxo- (3128-06-1)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319
Precautionary statements P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280a-P305+P351+P338-P321-P332+P313-P337+P313
Risk Statements  36/38
Safety Statements  26-36-24/25
WGK Germany  3
TSCA  TSCA listed
HS Code  29183000
Storage Class 10 - Combustible liquids
NFPA 704:
0
2 0

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