Toluene diisocyanate manufacturer Knowledge Dibutyl Fumarate Dibutyl Fumarate

Dibutyl Fumarate Dibutyl Fumarate

Dibutyl fumarate structural formula

Structural formula

Business number 02S9
Molecular formula C12H20O4
Molecular weight 228.28
label

Fumaric Acid Dibutyl Ester

Numbering system

CAS number:105-75-9

MDL number:MFCD00065141

EINECS number:203-327-9

RTECS number:LT1225000

BRN number:None

PubChem ID:None

Physical property data

1. Properties: colorless liquid.

2. Density (g/mL, 25℃): 0.9869

3. Relative density (25℃, 4℃): 0.977542.5

4. Melting point (ºC): 55-57

5. Boiling point (ºC, normal pressure): 1504

6. Boiling point (ºC, 4 mmHg): 150

7. Refractive index (n20): 1.4469

8. Relative density (20℃, 4℃ ): 0.9869

9. Specific rotation (º): Undetermined

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

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

12. Saturation vapor pressure (kPa, 25ºC): Undetermined

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

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/water) Log value of distribution coefficient: Undetermined

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

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

19. Solubility: Soluble in organic solvents such as ethanol, ether, acetone, etc., but insoluble in water.

Toxicological data

Acute toxicity: rat oral LD50: 8530mg/kg; mouse peritoneal cavity LD50: 250mg/kg; rabbit skin contact LD50: 15900μL/kg;

Ecological data

None

Molecular structure data

1. Molar refractive index: 61.25

2. Molar volume (cm3/mol): 227.1

3. Isotonic specific volume (90.2K ): 546.2

4. Surface tension (dyne/cm): 33.4

5. Dielectric constant:

6. Dipole moment (10-24cm3):

7. Polarizability: 24.28

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 2.7

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 10

5. Number of tautomers:

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

7、  Number of heavy atoms: 16

8, Surface charge: 0

9, Complexity: 209

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

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14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

Produced by the esterification reaction of fumaric acid and n-butanol.

Purpose

Used as organic solvents and organic synthesis intermediates.

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/25574

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