Ethyl tert-butyl ketone (CAS: 564-04-5) - Chemical Structure and Molecular Formula
Ethyl tert-butyl ketone (CAS: 564-04-5) - Chemical Structure Thumbnail

Ethyl tert-butyl ketone

Catalog No:   FT-0693356

CAS No:   564-04-5

  • Chemical Name:  Ethyl tert-butyl ketone
  • Molecular Formula:  C7H14O
  • Molecular Weight:  114.19
  • InChI Key:  VLNUTKMHYLQCQB-UHFFFAOYSA-N
  • InChI:  InChI=1S/C7H14O/c1-5-6(8)7(2,3)4/h5H2,1-4H3
Product pricing and availability information
Assay Pack Size Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Melting_Point: N/A
CAS: 564-04-5
MF: C7H14O
Flash_Point: 22.4ºC
Product_Name: 2,2-dimethylpentan-3-one
Density: 0.808 g/cm3
FW: 114.18500
Bolling_Point: 128.1ºC at 760 mmHg
Refractive_Index: 1.403
Flash_Point: 22.4ºC
LogP: 2.01160
Bolling_Point: 128.1ºC at 760 mmHg
FW: 114.18500
PSA: 17.07000
Computational_Chemistry: ['1. XlogP :18 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :2 ', '6. TPSA 171 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :871 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
MF: C7H14O
Exact_Mass: 114.10400
Molecular_Structure: ['1 . Molar refractive index 3447 ', '2 . Molar volume 1412 ', '3 . Parachor （902K）3108 ', '4 . Surface tension 234 ', '5 . Polarizability 1366']
Density: 0.808 g/cm3
More_Info: ['1 . Boiling point（ºC）1256 ', '2 . Melting point（ºC）-45 ', '3 相对. Density(d204) 08125 ', '4. Refractive index (n20D) 14065 ', '5 . Solubility 微Soluble in Water ，Soluble in Ethanol Ethyl ether 丙酮。']
HS_Code: 2914190090

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