FT-0606595 CAS:1117-31-3 chemical structure
FT-0606595 CAS:1117-31-3 chemical structure

1,3-BUTANEDIOL DIACETATE

Catalog No:   FT-0606595

CAS No:   1117-31-3

  • Molecular Formula:  174.19
  • Formula Weight: C8H14O4
  • Inchl Key: MPAGVACEWQNVQO-UHFFFAOYSA-N
  • Inchl: InChI=1S/C8H14O4/c1-6(12-8(3)10)4-5-11-7(2)9/h6H,4-5H2,1-3H3
Assay Pack Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Product_Name: 1,3-butanediol diacetate
Flash_Point: 85°C
Melting_Point: N/A
FW: 174.19400
Density: 1,028 g/cm3
CAS: 1117-31-3
Bolling_Point: 97-99°C 8mm
MF: C8H14O4
Molecular_Structure: ['1. Molar refractive index 4262 ', '2. Molar volume 1679 ', '3. Parachor （902K）3972 ', '4. Surface tension 313 ', '5. Dielectric constant N/A ', '6. Polarizability 1689 ', '7. Single isotope mass 174089209 Da ', '8. Nominal mass 174 Da ', '9. Average mass 1741944 Da']
LogP: 0.89120
Flash_Point: 85°C
Refractive_Index: 1.4180
FW: 174.19400
Density: 1,028 g/cm3
Bolling_Point: 97-99°C 8mm
Computational_Chemistry: ['1. XlogP :08 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :N/A ', '6. TPSA 526 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :164 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
PSA: 52.60000
MF: C8H14O4
More_Info: ['. Boiling point（ºC）8910 ', '相对. Density（20℃，4℃）10328 ', '相对. Density（25℃，4℃）1028 ', '常温. Refractive index（n20）14205常温. Refractive index（n ', '25）14145']
Vapor_Pressure: 0.0722mmHg at 25°C
Exact_Mass: 174.08900
HS_Code: 2915390090
Safety_Statements: S24/25

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