Methyl p-Methylbenzoate
Structural formula
| Business number | 02GE |
|---|---|
| Molecular formula | C9H10O2 |
| Molecular weight | 150.17 |
| label |
Methyl 4-methylbenzoate, Methyl p-toluate, Methyl para-toluate, Methyl p-formate, p-methyltoluene, 4-(Methoxycarbonyl)toluene, 4-methyl-benzoic acid methylester, Benzoicacid,4-methyl-,methylester, Methyl ester of 4-methylbenzoic acid, Methylp-tolulate, MPT, p-Carbomethoxytoluene, p-Toluylic acid, methyl ester |
Numbering system
CAS number:99-75-2
MDL number:MFCD00008441
EINECS number:202-784-1
RTECS number:XU2150000
BRN number:1100609
PubChem number:24889297
Physical property data
1. Characteristics: Undetermined
2. Density (g/mL, 20℃): 1.06
3. Relative vapor density (g/mL, air=1) :4.7
4. Melting point (ºC): 32-35
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC , 15mmHg): 103-104
7. Refractive index: Undetermined
8. Flash point (ºC): 90
9. Specific rotation ( º): Not determined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, 39ºC): 1
12. Saturated vapor pressure (kPa, 25ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
1. Skin/eye irritation: Standard Dresser test: rabbit skin contact, 500mg/24HREACTION SEVERITY, moderate reaction; 2. Acute toxicity: rat oral LD50: 3300mg/kg; mouse oral LD50: 3800mg/kg ; Mouse peritoneal cavity LD50: 1250mg/kg;nbsp; Rabbit skin contact LD50: >5mg/kg; Mammalian oral LD50: 3800mg/kg;
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 42.85
2. Molar volume (cm3/mol): 143.6
3. Isotonic specific volume (90.2K ): 349.7
4. Surface tension (dyne/cm): 35.1
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 16.98
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: 2
5. Number of tautomers: 3
6. Topological molecule polar surface area 26.3
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 135
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
Avoid contact with strong oxidizing agents.
Storage method
Store in a cool, ventilated warehouse. Keep away from fire and heat sources. The packaging is sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.
Synthesis method
None yet
Purpose
Used as pharmaceutical intermediates
