Acetylcitric acid triethyl ester O-Acetylcitric acid triethyl ester
Structural formula
| Business number | 01MC |
|---|---|
| Molecular formula | C14H22O8 |
| Molecular weight | 318.32 |
| label |
O-acetyl triethyl citrate, o-acetyl triethyl citrate, Acetyl triethyl citrate, 2-Acetyl triethyl citrate, Triethylester kyseliny acetylcitronove, Triethyl citrate acetate, 2-(Acetyloxy)-1,2,3-propanetricarboxylic acid triethyl ester |
Numbering system
CAS number:77-89-4
MDL number:MFCD00049378
EINECS number:201-066-5
RTECS number:GE8225000
BRN number:1804947
PubChem number:24864221
Physical property data
1. Properties: colorless liquid. Odorless.
2. Density (g/mL, 15/15℃): 1.147
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 1.33kPa): 174- 178
7. Refractive index (n20): 1.4386
8. Flash point (ºC): Undetermined
9 . Specific 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. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility : Slightly soluble in water, it can be hydrolyzed by heat at higher temperatures for a long time, increasing the acidity and darkening the color.
Toxicological data
1. Acute toxicity
Rat caliber LD50: 7mg/kg;
Mouse abdominal cavity LD50: 1150mg/kg;
Cat caliber LD50: 8510mg/kg;
2. Other multiple dose toxicity data
Mouse abdominal LD50: 3220mg/kg/14D-I
Cat caliber LD50: 31780 mg /kg/8W-C
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 73.97
2. Molar volume (cm3/mol): 273.6
3. �� Zhang specific volume (90.2K): 683.1
4. Surface tension (dyne/cm): 38.8
5. Polarizability (10-24cm 3): 29.32
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.6
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 8
4. Number of rotatable chemical bonds: 13
5. Number of tautomers: none
6. Topological molecule polar surface area 105
7. Number of heavy atoms: 22
8. Surface charge: 0
9. Complexity: 395
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
1. Colorless and transparent oily liquid, boiling point 132℃ (133.3Pa), flash point (open cup) 188℃, solubility in mineral oil is 1.2% (volume), similar to cellulose acetate, nitrocellulose, acetate butyric acid Compatible with cellulose and ethylcellulose. This product has high boiling point, low volatility and hydrolysis resistance, which can make the paint have better light resistance. Non-toxic, LD50=1150mg/kg body weight.
Storage method
Seal and save.
Synthesis method
None yet
Purpose
1. Plastic plasticizer.
2. This product is a non-toxic plasticizer, mainly used as a plasticizer for cellulose resin, non-toxic PVC granulation, production of food packaging materials, medical products, flavoring and fragrance preparation, children’s soft products Toys, cosmetics manufacturing, etc.
