structural formula
| business number | 033k |
|---|---|
| molecular formula | c5h10o2 |
| molecular weight | 102.13 |
| label |
monopropylene glycol, ethylene glycol monopropenyl ether, 2-(2-propyleneoxy)ethanol, ethylene glycol monoallyl ether, allyl hydroxyethyl ether, allyl glycol, 2-allyloxyethanol, 2-(2-propenyloxy)-ethano, ethylene glycol allyl ether, linear compound |
numbering system
cas number:111-45-5
mdl number:mfcd00020607
einecs number:203-871-7
rtecs number:kj5425000
brn number:none
pubchem number:24871224
physical property data
1. character: undetermined
2. density (g/ml,20℃):0.95
3. relative vapor density (g/ml,air =1): undetermined
4. melting point (ºc): undetermined
5. boiling point (ºc,normal pressure):159
6. boiling point (ºc,kpa): undetermined
7. refractive index:1.436
8. flashpoint (ºc):150
9. specific optical rotation (º): undetermined
10. autoignition point or ignition temperature (ºc): undetermined
11. vapor pressure (mmhg,25ºc): undetermined
12. saturated vapor pressure (kpa, ºc): undetermined
13. heat of combustion (kj/mol): undetermined
14. critical temperature (ºc): undetermined
15. critical pressure (kpa): undetermined
16. oil and water (octanol/water) partition coefficient0″ align=left>mouse gastrointestinal administrationldlo:2gm/kg
ecological data
none
molecular structure data
5. molecular property data:
1. molar refractive index: 31.53
2. molar volume (m3/mol）：123.9
3. isotonic specific volume (90.2k):240.2
4. surface tension (dyne/cm):25.94
5. polarizability（10-24cm3):12.50
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 4
5. number of tautomers: none
6. topological molecule polar surface area 29.5
7. number of heavy atoms: 7
8. surface charge: 0
9. complexity: 43.3
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
storage method
none
synthesis method
none
purpose
none
ont-family: ‘times new roman’; mso-hansi-font-family: ‘times new roman’; mso-bidi-font-family: arial”>（10-24cm3）：12.50
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 4
5. number of tautomers: none
6. topological molecule polar surface area 29.5
7. number of heavy atoms: 7
8. surface charge: 0
9. complexity: 43.3
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
storage method
none
synthesis method
none
purpose
none
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