3-Hexyn-2,5-diol


Catalog No:   FT-0656189

CAS No:   3031-66-1

  • Chemical Name:  3-Hexyn-2,5-diol
  • Molecular Formula:  C6H10O2
  • Molecular Weight:  114.14
  • InChI Key:  KDOWHHULNTXTNS-UHFFFAOYSA-N
  • InChI:  InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h5-8H,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
Product_Name: 2,5- hexyne diol
Bolling_Point: 221.9±8.0 °C at 760 mmHg
Density: 1.1±0.1 g/cm3
MF: C6H10O2
CAS: 3031-66-1
Melting_Point: 42 °C(lit.)
Flash_Point: 104.0±13.0 °C
FW: 114.142
MF: C6H10O2
Bolling_Point: 221.9±8.0 °C at 760 mmHg
Exact_Mass: 114.068077
More_Info: ['1 . Appearance 浅Yellow Liquid ', '2 . Density(g/mL,25/4℃)1009 ', '3 . Relative vapor density(g/mL,Atmosphere =1)无可用 ', '4 . Melting point(ºC)无可用 ', '5 . Boiling point(ºC,Atmospheric pressure)120 ', '6 . Boiling point(ºC,52kPa)无可用 ', '7 . Refractive index1437 ', '8 . Flash point(ºC)无可用 ', '9 . Specific rotation(º)无可用 ', '10 . Spontaneous ignition point or ignition temperature(ºC)无可用 ', '11 . Vapor pressure(kPa,25ºC)无可用 ', '12 . Saturated vapor pressure(kPa,60ºC)无可用 ', '13 . Combustion heat(KJ/mol)无可用 ', '14 . Critical temperature(ºC)无可用 ', '15 . Critical pressure(KPa)无可用 ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion(%,V/V)无可用 ', '18 . Lower limit of explosion(%,V/V)无可用 ', '19 . Solubility Water 溶性良好']
Melting_Point: 42 °C(lit.)
PSA: 40.46000
Flash_Point: 104.0±13.0 °C
Refractive_Index: 1.490
Density: 1.1±0.1 g/cm3
Molecular_Structure: ['1 . Molar refractive index 3083 ', '2 . Molar volume (m3/mol)1066 ', '3 . Parachor (902K)2772 ', '4 . Surface tension 456 ', '5 . Polarizability 1222']
Computational_Chemistry: ['1. XlogP :-03 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 405 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :105 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :2 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
FW: 114.142
LogP: -0.41
Vapor_Pressure: 0.0±1.0 mmHg at 25°C
Risk_Statements(EU): R25;R36
HS_Code: 2905399090
Hazard_Codes: T:Toxic
RTECS: MR0175000
Hazard_Class: 6.1(b)
Packing_Group: III
WGK_Germany: 2
Safety_Statements: S26-S36/37/39-S45
RIDADR: UN 2811 6.1/PG 3

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