β-methylstyrene
Structural formula
| Business number | 070Q |
|---|---|
| Molecular formula | C9H10 |
| Molecular weight | 118.18 |
| label |
trans-beta-methylstyrene, 1-Phenylpropene, (1E)-1-Propenylbenzene, 1-Phenyl-1-propene, 1-Propenylbenzene, phenylpropanoids |
Numbering system
CAS number:637-50-3
MDL number:MFCD00009280
EINECS number:None
RTECS number:DA8400000
BRN number:None
PubChem ID:None
Physical property data
1. Characteristics: transparent liquid.
2. Density (g/mL,25/4℃): 0.9110
3. Relative vapor density (g/mL, Air=1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC,Normal pressure): 175
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index: 1.550
8. Flash point (ºC): 58
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC):
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturated vapor pressure (kPa,60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of partition coefficient (water): Undetermined
17. Explosion upper limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): 0.9
19. Solubility: Undetermined.
Toxicological data
1, acute toxicity: rat (oral) LD50: 3,600 mg/kg
Since the LD50 of table salt is 3,000 mg/kg, BPA has the same level of acute toxicity as table salt.
Ecological data
Usually for Water is not hazardous and materials should not be discharged into the surrounding environment without government permission.
Molecular structure data
1. Molar refractive index: 42.14
2. Molar volume (m3 /mol):130.4
3. isotonic specific volume (90.2K):310.2
4. Surface Tension (dyne/cm):32.0
5. Dielectric constant ( F/m):2.79
6. Polarizability（10-24cm3):16.70
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: 0
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 0
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 86.2
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: 1
14. Number of uncertain chemical bond stereocenters: 0
15. Covalent bond unitQuantity:1
Properties and stability
Keep away from oxides.
Storage method
Stored in Seal the container and place in a cool, dry place. Store away from oxidizing agents.
Synthesis method
None
Purpose
None
