3-Methylstyrene 3-Methylstyrene

Structural formula

• 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:100-80-1

MDL number:MFCD00008617

EINECS number:202-889-2

RTECS number:WL5075800

BRN number:1304618

PubChem ID:None

Physical property data

1. Properties: Undetermined

2. Density (g/mL, 20℃): 0.901

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

4. Melting point (ºC): −86.3

5. Boiling point (ºC, normal pressure): 164

6. Boiling point (ºC, 2.4kPa): 61-62

7. Refractive index _(n²⁰_D): 1.541

8. Flash point (ºC): 52

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): 494

11. Vapor pressure (mmHg, 20ºC): Undetermined

12. Saturated vapor pressure (kPa, 20ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16 . The logarithmic value of the oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): 11

18. Explosion lower limit (%, V/V): 0.8

19. Solubility: Undetermined

Toxicological data

Mutagenicity: sister chromatid exchange test: human lymphocytes, 1mmol/L;

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 42.00

2. Molar volume (cm³/mol): 131.6

3. Isotonic specific volume (90.2K ): 309.8

4. Surface tension (dyne/cm): 30.6

5. Dielectric constant: 2.36

6. Dipole moment (10^-24cm³):

7. Polarizability: 16.65

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: 94.2

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determined number of chemical bond stereocenters: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Avoid contact with oxides, heat, acid, ultraviolet radiation, and free radical initiators.

2. Exist in smoke.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire, heat sources and anti-static. The storage temperature should not exceed 30℃. They should be stored separately from oxidants and acidic substances, and avoid mixed storage. It should not be stored in large quantities or for long periods of time. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

None yet

Purpose

Used in organic synthesis.