3-phenoxy-1,2-propanediol

Structural formula

Business number	05J9
Molecular formula	C9H12O3
Molecular weight	168.19
label	Glycerol alpha-Monophenyl Ether, 3-Phenoxy-2-propanediol, alpha-Phenylmonoglycerylether, 1-Fenoxy-2,3-propandiol

• 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.