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