Structural formula
Business number | 03TM |
---|---|
Molecular formula | C12H22O4 |
Molecular weight | 230.30 |
label |
Di-n-butyl succinate, dibutyl succinate, insect repellent, Di-n-butyl succinate, Butyl succinate, Succinic acid di-n-butyl ester, aliphatic compounds, pesticides |
Numbering system
CAS number:141-03-7
MDL number:MFCD00040495
EINECS number:205-449-8
RTECS number:WM6250000
BRN number:None
PubChem number:24860687
Physical property data
1. Physical property data
1. Properties: Colorless transparent liquid
2. Relative vapor density (g/mL, air=1): 0.98
3. Melting point (ºC): -29.2
4. Boiling point (ºC, normal pressure): 274.5
5. Flash point (ºC): 144
6. Solubility: Insoluble in water, easily soluble in organic solvents such as ethanol, toluene, and acetone.
7. Relative density (20℃, 4℃): 0.9752
8. Refractive index at room temperature (n20): 1.4299
9. Relative density (25℃, 4℃): 0.921386.5
Toxicological data
II. Toxicological data:
1. Acute toxicity: Rat oral LD50: 8 mg/kg
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: 61.19
2. Molar volume (cm3/mol): 233.5
3 , Isotonic specific volume (90.2K): 559.0
4. Surface tension (dyne/cm): 32.8
5. Polarizability (10-24 cm3): 24.25
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: 4
4. Number of rotatable chemical bonds: 11
5. Number of tautomers: none
6. Topological molecule polar surface area 52.6
7. Number of heavy atoms: 16
8. Surface charge: 0
9. Complexity: 179
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. Covalent bond singleNumber of yuan: 1
Properties and stability
Stable under normal temperature and pressure.
Storage method
Store in a cool, ventilated warehouse.
Synthesis method
None yet
Purpose
Mainly used as insect repellent and organic synthesis reagent. Used as solvent and intermediate, and also used as gas chromatography stationary liquid.