Diethylhexyl maleate

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:142-16-5

MDL number:MFCD00027250

EINECS number:220-835-6

RTECS number:ON0160000

BRN number:None

PubChem ID:None

Physical property data

1. Properties: colorless and transparent liquid with special odor.

2. Boiling point (ºC, 0.67kPa): 195~207

3. Melting point (ºC): -50

4. Relative density (g/ mL, 25/4ºC): 0.944

5. Refractive index (25ºC): 1.4535

6. Flash point (ºC): 110

7. Dissolution Properties: Soluble in most organic solvents, insoluble in water.

Toxicological data

1. Acute toxicity: Rat oral LD50: 14 mg/kg; Rat intraperitoneal LD50: >5 mg/kg; Rat intraperitoneal LD50: >1 mg/kg

                                                                                                                            rat, and the transdermal LD50 of rabbits: 15 mL/kg.

2. This product is irritating.

Ecological data

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

Molecular structure data

1. Molar refractive index: 98.23

2. Molar volume (cm³/mol): 360.0

3. Isotonic specific volume (90.2K ): 859.2

4. Surface tension (dyne/cm): 32.4

5. Polarizability (10^-24cm³): 38.94

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 6.5

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 16

5. Topological molecular polar surface area (TPSA): 52.6

6. Number of heavy atoms: 24

7. Surface charge: 0

8.   Complexity: 329

9. Number of isotope atoms: 0

10. Number of determined atomic stereocenters: 0

11. Uncertain atomic stereocenter The number of stereocenters of chemical bonds: 2

12. The number of stereocenters of chemical bonds determined: 1

13. The number of stereocenters of uncertain chemical bonds: 0

14. Total Number of price key units: 1

Properties and stability

Stable under normal temperature and pressure. When using, avoid inhaling the vapor of this product and avoid contact with eyes and skin.

Storage method

Store sealed in a dry and cool place.

Synthesis method

None yet

Purpose

Used as plasticizer, petroleum additive, solvent.