2-Ethylhexylmethacrylate

Published by BDMAEE on 2024-03-13 | Permalink

Structural formula

Business number	079B
Molecular formula	C12H22O2
Molecular weight	198.30
label	2-ethylhexyl methacrylate, Methacrylic Acid 2-Ethylhexyl Ester, Methacrylic Acid Octyl Ester, Octyl Methacrylate, CH2=C(CH3)COOCH2CH(C2H5)(CH2)3CH3, aliphatic compounds

Numbering system

CAS number:688-84-6

MDL number:MFCD00009494

EINECS number:211-708-6

RTECS number:OZ4630000

BRN number:1769420

PubChem number:24882662

Physical property data

1. Characteristics: colorless liquid.

2. Density (g/mL,25/4℃): 0.885

3. Relative vapor density (g/mL,AIR=1): 6.9

4. Melting point (ºC): -50

5. Boiling point (ºC,Normal pressure): 218

6. Boiling point (ºC,5.2kPa): Undetermined

7. Refractive index: 1.438

8 . Flashpoint (ºC): 92

9. Specific optical rotation (º): Undetermined

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

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/Logarial value of the partition coefficient of water: undetermined

17. Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: Not soluble in water.

Toxicological data

, acute toxicity: mice ( peritoneum) LD50: 2,614 mg/kg
Dog (oral)LD50： 3,250 mg/kg

Since the LD50 of table salt is 3,000 mg/kg, BPA has the same degree of acute toxicity as table salt.

Ecological data

Usually not harmful to water, Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 58.94

2. Molar volume（m³/mol）：225.3

3. isotonic ratio（90.2K）：516.8

4. Surface Tension（dyne/cm）：27.6

5. Dielectric constant:

6. Dipole moment（10^-24cm³）：

7. Polarizability: 23.36

Compute chemical data

1. Hydrophobic parameters Calculate reference value (XlogP): 4.5

2. Hydrogen Bonding Number of donors: 0

3. Hydrogen Bonding Number of receptors: 2

4. Rotatable Number of chemical bonds: 8

5. Topological molecular polar surface area (TPSA): 26.3

6. Heavy atoms Quantity: 14

7. Surface charge ：0

8. Complexity ：185

9. Isotope atomic number:0

10. Determine the number of atomic stereocenters:0

11. Uncertain number of atomic stereocenters:0

12. Determine the number of chemical bond stereocenters:0

13. Uncertain number of chemical bond stereocenters:0

14. Number of covalent bond units: 1

Properties and stability

Keep away from oxides, acids, alkalis, light, and heat.

Storage method

Store in an airtight container and place Store in a cool, dry place. Store away from oxidizing agents. Never store together with acidic substances and alkali metals. Keep away from light.

Synthesis method

None

Purpose

None