dimethyl itaconate

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:617-52-7

MDL number:MFCD00008446

EINECS number:210-519-6

RTECS number:None

BRN number:386674

PubChem number:24881766

Physical property data

1. Physical property data

1. Melting point (ºC): 38ºC

2. Boiling point (ºC, normal pressure): 208 °C0.1 mm Hg (lit.)

3. Density: 1.124 g/mL at 25 °C(lit.

4. Flash point (ºC): 213 °F

5. Normal temperature Refractive index (n²⁰): 1.4457

6. Relative density (20℃, 4℃): 1.1241¹⁸

Toxicological data

None yet

Ecological data

3. Ecological data:

1. Other harmful effects: This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 37.59

2. Molar volume (cm³/mol): 145.9

3. Isotonic specific volume (90.2K): 345.2

4. Surface tension (dyne/cm): 31.3

5. Polarizability (10^-24cm³): 14.90

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.5

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 52.6

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 183

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

Properties and stability:

The product may not decompose under normal temperature and pressure.

Storage method

Storage:

Seal the container and store it in a sealed main container in a cool, dry place.

Synthesis method

None yet

Purpose

Uses:

Used as lubricating oil thickener, copolymer latex, descaling agent for water treatment, surfactant, modified alkyd resin, etc.

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