3128-06-1

Name 5-Oxohexanoate
CAS 3128-06-1
EINECS(EC#) 221-511-7
Molecular Formula C6H9O3-
MDL Number MFCD00004412
Molecular Weight 129.13
MOL File 3128-06-1.mol
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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.)
Fp  >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 3128-06-1(EPA Substance)

Safety Data

Risk Statements 
R36/38:Irritating to eyes and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
WGK Germany  3
TSCA  Yes
HS Code  29183000
Storage Class 10 - Combustible liquids

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