Toluene diisocyanate manufacturer Knowledge 3-phenoxy-1,2-propanediol

3-phenoxy-1,2-propanediol

3-phenoxy-1,2-propanediol structural formula

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

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

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/29237

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