3-phenoxy-1,2-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:538-43-2

mdl number:mfcd00004717

einecs number:208-692-8

rtecs number:tz1050000

brn number:none

pubchem id:none

physical property data

1. character: white crystal

2. density (g/ml,25/4℃): undetermined

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

4. melting point (ºc): 50 -52

5. boiling point (ºc,normal pressure):315

6. boiling point (ºc,5.2kpa): undetermined

7. refractive index: undetermined

8. flashpoint (ºc): 315

9. specific optical rotation (º): undetermined

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

11. vapor pressure (kpa,25ºc): undetermined

12. saturated vapor pressure (kpa,60ºc, peripheral nerves and sensation – flaccid paralysis without anesthesia (usually neuromuscular blockade), altered sleep duration (including altered righting reflex), respiratory depression;

mouse transperitonealld50: 1240 mg/kg, peripheral nerves and sensation – flaccid paralysis without anesthesia (usually nerve muscle block), –muscle weakness and changes in the lungs, chest, or breathing;

mouse subcutaneouslyld50: 920mg/kg, autonomic nervous system – smooth muscle relaxation (mechanism undefined, antispasmodic) ;

unknown mammals by mouthld50：>5gm/kg, except no details other than lethal dose;

ecological data

the substance may be harmful to the environment, special attention should be paid to water bodies.

molecular structure data

1. molar refractive index: 45.22

2. molar volume (m³/mol):141.8

3. isotonic specific volume (90.2k):374.3

4. surface tension (dyne/cm):48.5

5. polarizability（10^-24cm³):17.92

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 4

5. number of tautomers: none

6. topological molecule polar surface area 49.7

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 110

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 1

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

as required it will not decompose or react when stored, keep away from oxides.

storage method

save sealed , place in a ventilated, dry place.

synthesis method

obtained from the reaction of phenol and 3-chloro-1,2-propanediol.

purpose

organic synthesis intermediates.

ial”>):374.3

4. surface tension (dyne/cm):48.5

5. polarizability（10^-24cm³):17.92

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 4

5. number of tautomers: none

6. topological molecule polar surface area 49.7

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 110

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 1

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

as required it will not decompose or react when stored, keep away from oxides.

storage method

save sealed , place in a ventilated, dry place.

synthesis method

obtained from the reaction of phenol and 3-chloro-1,2-propanediol.

purpose

organic synthesis intermediates.