Toluene diisocyanate manufacturer Knowledge 3-Hexyn-2-ol 3-Hexyn-2-ol

3-Hexyn-2-ol 3-Hexyn-2-ol

3-hexyn-2-ol structural formula

Structural formula

Business number 02Z2
Molecular formula C6H10O
Molecular weight 98.14
label

3-hexyn-2-ol,

3-hexyl-2-ol,

3-Hexyn-2-ol,

1-Butynyl methyl carbinol,

1-Butynyl ethyl carbinol,

Hex-3-yn-2-ol,

3-Hexyne-2-ol,

3-Hexylthiophene

Numbering system

CAS number:109-50-2

MDL number:MFCD00041586

EINECS number:203-676-7

RTECS number:None

BRN number:1739390

PubChem number:24885034

Physical property data

1. Characteristics: Colorless to light yellow liquid.


2. Density (g/mL,20) :0.909


3. Relative vapor density (g/mL,Air= 1): Undetermined


4. Melting point (ºC): Undetermined


5. Boiling point (ºC,normal pressure):80


6. Boiling point (ºC, mmHgUndetermined


7. Refractive index (D20)1.447


8. Flashpoint (ºC): Undetermined


9. Specific rotation (ºC): Undetermined


10. Autoignition point or ignition temperature (ºC): Undetermined


11. Vapor pressure (mmHg, 20ºC): Undetermined


12. Saturated vapor pressure (kPa, ):Undetermined


13. Heat of combustion (KJ/mol): Undetermined


14. Critical temperature (ºC): Undetermined


<S

2. Molar volumem3/ mol108.7


3. isotonic ratio90.2K263.1


4. Surface Tensiondyne/cm34.2


5. Dielectric constant:


6. Dipole moment10 -24cm3)


7. Polarizability: 11.63

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 20.2

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 93.2

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with strong oxidants.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire, heat sources and anti-static. The storage temperature should not exceed 30. should be kept away from oxidizer, do not store together. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

None yet

Purpose

None yet

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7. Polarizability: 11.63

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 20.2

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 93.2

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with strong oxidants.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire, heat sources and anti-static. The storage temperature should not exceed 30. should be kept away from oxidizer, do not store together. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

None yet

Purpose

None yet

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