Structural formula
Business number | 02N5 |
---|---|
Molecular formula | C10H12O2 |
Molecular weight | 164.21 |
label |
Methyl 3-phenylpropionate, 3-Phenylpropionic Acid Methyl Ester |
Numbering system
CAS number:103-25-3
MDL number:MFCD00017209
EINECS number:203-092-2
RTECS number:None
BRN number:1909591
PubChem ID:None
Physical property data
1. Properties: colorless liquid.
2. Density (g/mL, 25℃): 1.043
3. Relative density (25℃, 4℃): 0.984187.1
4. Relative density (20℃, 4℃): 1.0432
5. Boiling point (ºC): 232755
6. Refractive index at room temperature (n20): 1.5022
7. Refractive index: 1.502
8. Flash point (ºC): 100
9. Refractive index at room temperature (n25): 1.4995
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, 20ºC): 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) distribution Log value of coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None yet
Ecological data
Usually not harmful to water.
Molecular structure data
1. Molar refractive index: 46.84
2. Molar volume (cm3/mol): 158.7
3. Isotonic specific volume (90.2K ): 388.1
4. Surface tension (dyne/cm): 35.7
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 18.56
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: 4
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: 137
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. Uncertain number of stereocenters of chemical bonds: 0
15. Number of covalent bond unitsQuantity: 1
Properties and stability
Avoid contact with strong oxidizing agents.
Storage method
Store in a cool, ventilated warehouse. Keep away from fire and heat sources. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.
Synthesis method
None yet
Purpose
Used as pharmaceutical intermediates and also used in organic synthesis