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Diethyl butylmalonate Structure

Diethyl butylmalonate

  • Product NameDiethyl butylmalonate
  • CAS133-08-4
  • CBNumberCB4335342
  • MFC11H20O4
  • MW216.27
  • EINECS205-089-1
  • MDL NumberMFCD00009170
  • MOL File133-08-4.mol

Chemical Properties

Melting point: 238 °C
Boiling point: 235-240 °C (lit.)
Density  0.983 g/mL at 25 °C (lit.)
vapor pressure  1Pa at 20℃
refractive index  n20/D 1.422(lit.)
Flash point: 201 °F
storage temp.  Sealed in dry,Room Temperature
solubility  DMSO : 100 mg/mL (462.38 mM; Need ultrasonic)|
pka 13.47±0.46(Predicted)
form  clear liquid
color  Colorless to Almost colorless
Specific Gravity 0.975 (20/4℃)
Water Solubility  330mg/L at 20℃
Merck  14,1576
BRN  608785
InChI 1S/C11H20O4/c1-4-7-8-9(10(12)14-5-2)11(13)15-6-3/h9H,4-8H2,1-3H3
InChIKey RPNFNBGRHCUORR-UHFFFAOYSA-N
SMILES CCCCC(C(=O)OCC)C(=O)OCC
LogP 3.4 at 23℃
CAS DataBase Reference 133-08-4(CAS DataBase Reference)
NIST Chemistry Reference Diethyl butylmalonate(133-08-4)
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Safety

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H227
Precautionary statements  P210e-P280a-P370+P378a-P403+P235-P501a
PPE Eyeshields, Gloves
Safety Statements  24/25
WGK Germany  1
HS Code  29171990
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
REACH Registrations Active
NFPA 704:
2
1 0

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