3,4,4-Trimethyl-1-pentyn-3-ol


Catalog No:   FT-0601837

CAS No:   993-53-3

  • Molecular Formula:  126.2
  • Formula Weight: C8H14O
  • Inchl Key: XXWIEGOAVMLISY-UHFFFAOYSA-N
  • Inchl: InChI=1S/C8H14O/c1-6-8(5,9)7(2,3)4/h1,9H,2-5H3

Assay Pack 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: 993-53-3
MF: C8H14O
Flash_Point: 35.6ºC
Product_Name: 3,4,4-trimethylpent-1-yn-3-ol
Density: 0.868
FW: 126.19600
Bolling_Point: 137.2ºC at 760mmHg
Refractive_Index: 1.442
Flash_Point: 35.6ºC
LogP: 1.41670
Bolling_Point: 137.2ºC at 760mmHg
FW: 126.19600
PSA: 20.23000
Computational_Chemistry: ['1. XlogP :16 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 202 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :144 ', '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']
MF: C8H14O
Exact_Mass: 126.10400
Molecular_Structure: ['1 . Molar refractive index 3840 ', '2 . Molar volume (m3/mol)1419 ', '3 . Parachor (902K)3363 ', '4 . Surface tension 315 ', '5 . Polarizability (10 -24cm 3)1522']
Density: 0.868
More_Info: ['1 . Appearance Unknow。 ', '2 . Density(g/ cm3,25℃)0868 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)Unknow ', '5 . Boiling point(ºC,Atmospheric pressure)142-144 ', '6 . Boiling point(ºC, 11mmHg)Unknow ', '7 . Refractive index14420 ', '8 . Flash point(ºC)39 ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(kPa,25ºC)Unknow ', '12 . Saturated vapor pressure(kPa,60ºC)Unknow ', '13 . Combustion heat(KJ/mol)Unknow ', '14 . Critical temperature(ºC)Unknow ', '15 . Critical pressure(KPa)Unknow ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion(%,V/V)Unknow ', '18 . Lower limit of explosion(%,V/V)Unknow ', '19 . Solubility Unknow。']
RIDADR: UN 1987
Risk_Statements(EU): R10
Safety_Statements: S23-S24/25
Packing_Group: III

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