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
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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

Resource:allhdi.com