Toluene diisocyanate manufacturer Knowledge 2-Ethyl-2-methyl-1,3-propanediol 2-Ethyl-2-methyl-1,3-propanediol

2-Ethyl-2-methyl-1,3-propanediol 2-Ethyl-2-methyl-1,3-propanediol

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

Structural formula

Business number 01M9
Molecular formula C6H14O2
Molecular weight 118.17
label

1,3-Propanediol, 2-ethyl-2-methyl-,

2-ethyl-2-methylpropane-1,3-diol

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. Polarizability10-24cm3):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. Polarizability10-24cm3):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

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