ACETOACETIC ACID N-BUTYL ESTER (CAS: 591-60-6) - Chemical Structure and Molecular Formula
ACETOACETIC ACID N-BUTYL ESTER (CAS: 591-60-6) - Chemical Structure Thumbnail

ACETOACETIC ACID N-BUTYL ESTER

Catalog No:   FT-0621779

CAS No:   591-60-6

  • Chemical Name:  ACETOACETIC ACID N-BUTYL ESTER
  • Molecular Formula:  C8H14O3
  • Molecular Weight:  158.19
  • InChI Key:  REIYHFWZISXFKU-UHFFFAOYSA-N
  • InChI:  InChI=1S/C8H14O3/c1-3-4-5-11-8(10)6-7(2)9/h3-6H2,1-2H3
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: 230-234 °C (dec.)(lit.)
CAS: 591-60-6
MF: C8H14O3
Flash_Point: 85 °C
Product_Name: butyl 3-oxobutanoate
Density: 0.98
FW: 158.19500
Bolling_Point: 206ºC at 760mmHg
Refractive_Index: 1.421
Flash_Point: 85 °C
LogP: 1.30880
Bolling_Point: 206ºC at 760mmHg
FW: 158.19500
PSA: 43.37000
Computational_Chemistry: ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :5 ', '6. TPSA 434 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :140 ', '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']
Melting_Point: 230-234 °C (dec.)(lit.)
MF: C8H14O3
Exact_Mass: 158.09400
Molecular_Structure: ['五分子性质数据 ', '1 . Molar refractive index 4091 ', '2 . Molar volume 1611 ', '3 . Parachor （902K）3802 ', '4 . Surface tension 309 ', '5 . Polarizability 1622']
Density: 0.98
More_Info: ['. Density 097 . Flash point 85 Water 溶性Soluble in Water . Boiling point: 127', '50 . Melting point（ºC）-356 相对. Density（20℃，4℃）09870 常温. Refractive index（n', '20）14270']
RTECS: AK5100000
HS_Code: 2918300090
WGK_Germany: 3

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