Ethyl o-toluate

Ethyl o-toluate structural formula

Structural formula

Business number 01XQ
Molecular formula C10H12O2
Molecular weight 164.20
label

2-Methylbenzoate,

Ethyl 2-methylbenzoate,

CH3C6H4CO2C2H5

Numbering system

CAS number:87-24-1

MDL number:MFCD00009112

EINECS number:201-734-6

RTECS number:None

BRN number:2042517

PubChem number:24889294

Physical property data


1. Character:Colorless liquid


2. Density (g/mL,25/4℃):1.032


3. Relative vapor density (g/mL,AIR=1): Undetermined


4. Melting point (ºC): Undetermined


5. Boiling point (ºC,Normal pressure):220-221°C


6. Boiling point (ºC,5.2kPa): Undetermined


7. Refractive index:1.507-1.509


8. Flash Point (ºC):91°C


9. Specific optical rotation (º): Undetermined


10. Autoignition point or ignition temperature (ºC): Undetermined


11. Vapor pressure (kPa,25ºC): Undetermined


12. 17. Explosion Upper limit (%,V/V): Undetermined


18. Lower explosion limit (%,V/V): Undetermined


19. Solubility: Undetermined



Toxicological data

None yet

Ecological data

None yet

Molecular structure data



1. Molar refractive index: 47.48


2. Molar volume (m3/mol):160.1


3. isotonic specific volume (90.2K):389.5


4. Surface Tension (dyne/cm):35.0


5. Polarizability10-24cm3):18.82



Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

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 26.3

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 154

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

This product should be sealed, dry and protected from light.

Synthesis method

None yet

Purpose

Used in organic synthesis intermediates.

lang=EN-US style=”FONT-SIZE: 9pt; FONT-FAMILY: Arial”>m3/mol):160.1


3. isotonic specific volume (90.2K):389.5


4. Surface Tension (dyne/cm):35.0


5. Polarizability10-24cm3):18.82



Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

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 26.3

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 154

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

This product should be sealed, dry and protected from light.

Synthesis method

None yet

Purpose

Used in organic synthesis intermediates.

MARGIN: 0cm 0cm 0pt”>For organic synthesis intermediates.

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.allhdi.com/archives/46650

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