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3-tert-Butoxy-3-oxopropanoic acid

  • Name 3-tert-Butoxy-3-oxopropanoic acid
  • EINECS221-943-6
  • CAS No. 40052-13-9
  • Density1.126 g/cm3
  • PSA63.60000
  • LogP0.80280
  • SolubilityN/A
  • Melting Point19-20°C(lit.)
  • FormulaC7H12O4
  • Boiling Point250.5 °C at 760 mmHg
  • Molecular Weight160.17
  • Flash Point97.7 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety26-27-36/37/39-45
  • Risk Codes26-34
  • Molecular Structure
    Molecular Structure of 40052-13-9 (3-tert-Butoxy-3-oxopropanoic acid)
  • Hazard SymbolsT
  • SynonymsT
  • Article Data39

3-tert-Butoxy-3-oxopropanoic acid Chemical Properties

Product Name: 3-tert-Butoxy-3-oxopropanoic acid (CAS NO.40052-13-9)

Molecular Formula: C7H12O4
Molar mass: 160.17 g/mol
EINECS: 221-943-6
Density: 1.126 g/cm3
Flash Point: 97.7 °C
Index of Refraction: 1.444
Boiling Point: 250.5 °C at 760 mmHg
Vapour Pressure: 0.00684 mmHg at 25°C
Melting point: 19-20 °C(lit.)
Molar Volume: 142.2 cm3 
Polarizability: 14.97 10-24cm3 
Surface Tension: 37.6 dyne/cm 
SMILES: O=C(OC(C)(C)C)CC(=O)O 
InChI: InChI=1/C7H12O4/c1-7(2,3)11-6(10)4-5(8)9/h4H2,1-3H3,(H,8,9) 
InChIKey: NGGGZUAEOKRHMA-UHFFFAOYAV 
Std. InChI: InChI=1S/C7H12O4/c1-7(2,3)11-6(10)4-5(8)9/h4H2,1-3H3,(H,8,9) 
Std. InChIKey: NGGGZUAEOKRHMA-UHFFFAOYSA-N
Product categories: Carbonyl Compounds; Esters

3-tert-Butoxy-3-oxopropanoic acid Safety Profile

Safety Information of 3-tert-Butoxy-3-oxopropanoic acid (CAS NO.40052-13-9):
Hazard Codes: T
Risk Statements:
26:  Very Toxic by inhalation
34:  Causes burns
Safety Statements:
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
27:  Take off immediately all contaminated clothing
36:  Wear suitable protective clothing 
37:  Wear suitable gloves
39:  Wear eye/face protection
45:  In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)

3-tert-Butoxy-3-oxopropanoic acid Specification

 3-tert-Butoxy-3-oxopropanoic acid (CAS NO.40052-13-9) also can be called Propanedioic acid, mono(1,1-dimethylethyl) ester ; Mono-(tert-butyl) malonate ; Malonic acid mono-tert butyl ester .

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