2-ethyl-2-methyl-1,3-propanediol 2-ethyl-2-methyl-1,3-propanediol

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:77-84-9

mdl number:mfcd00004693

einecs number:201-062-3

rtecs number:none

brn number:none

pubchem id:none

physical property data

1. character: unsure.

2. density (g/ml,25/4℃): unsure

3. relative vapor density (g/ml,air=1): unsure

4. melting point (ºc): unsure

5. boiling point (ºc,normal pressure): unsure

6. boiling point (ºc,5.2kpa): unsure

7. refractive index: uncertain

8. flashpoint (ºc): unsure

9. specific optical rotation (º): unsure

10. autoignition point or ignition temperature (ºc): unsure

11. vapor pressure (kpa,25ºc): unsure

12. 17. explosion upper limit (%,v/v): unsure

18. lower explosion limit (%,v/v): unsure

19. solubility: uncertain.

toxicological data

none yet

ecological data

none yet

molecular structure data

5. molecular property data:

1. molar refractive index: 32.88

2. molar volume (m³/mol）：122.6

3. isotonic specific volume (90.2k):299.4

4. surface tension (dyne/cm):35.5

5. polarizability（10^-24cm³):13.03

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 0.4

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 3

5. number of tautomers: none

6. topological molecule polar surface area 40.5

7. number of heavy atoms: 8

8. surface charge: 0

9. complexity: 57.5

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

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

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet

s=msonormal style=”margin: 0cm 0cm 0pt 72.75pt; text-indent: -54.75pt; text-align: left; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto; mso- list: l0 level2 lfo1; tab-stops: list 36.0pt” align=left>2. molar volume (m³/mol）：122.6

3. isotonic specific volume (90.2k):299.4

4. surface tension (dyne/cm):35.5

5. polarizability（10^-24cm³):13.03

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 0.4

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 3

5. number of tautomers: none

6. topological molecule polar surface area 40.5

7. number of heavy atoms: 8

8. surface charge: 0

9. complexity: 57.5

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

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

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet