2,4,7,9-tetramethyl-5-decyne-4,7-diol 2,4,7,9-tetramethyl-5-decyne-4,7-diol

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:126-86-3

mdl number:mfcd00008942

einecs number:204-809-1

rtecs number:none

brn number:none

pubchem number:24856810

physical property data

1. character:white waxy solid

2. relative density:0.893

3. flashpoint (℃）：＞110

4. melting point (℃):37

5. boiling point (ºc): 260

toxicological data

none

ecological data

none

molecular structure data

5. molecular property data:

1. molar refractive index: 67.83

2. molar volume (m³/mol）：238.7

3. isotonic specific volume (90.2k):585.7

4. surface tension (dyne/cm):36.1

5. polarizability（10^-24cm³):26.99

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.7

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 6

5. number of tautomers: none

6. topological molecule polar surface area 40.5

7. number of heavy atoms: 16

8. surface charge: 0

9. complexity: 256

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 2

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

basic properties

white waxy solid. soluble in ethylene glycol and other organic solvents, solubility in water is about 0.1%. relative density 0.893. melting point 37℃. boiling point 260℃. flash point＞110℃. irritating

storage method

storage: store sealed in a cool and dry place.

synthesis method

none

purpose

, purpose

nonionic surfactant. dispersant. defoaming agent. emulsifier. viscosity reducer.

arial”>m³/mol):238.7

3. isotonic specific volume (90.2k):585.7

4. surface tension (dyne/cm):36.1

5. polarizability（10^-24cm³):26.99

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.7

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 6

5. number of tautomers: none

6. topological molecule polar surface area 40.5

7. number of heavy atoms: 16

8. surface charge: 0

9. complexity: 256

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 2

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

basic properties

white waxy solid. soluble in ethylene glycol and other organic solvents, solubility in water is about 0.1%. relative density 0.893. melting point 37℃. boiling point 260℃. flash point＞110℃. irritating

storage method

storage: store sealed in a cool and dry place.

synthesis method

none

purpose

, purpose

nonionic surfactant. dispersant. defoaming agent. emulsifier. viscosity reducer.