What is Ethyl Lactate?

What is Ethyl Lactate?

For most people, ethyl lactate is a very unfamiliar term. In fact, it is a colorless liquid. It has a little smell when you smell it close to your nose. It is said that ethyl lactate will dissolve in water and then produce organic matter. It should be reminded that ethyl lactate is a flammable substance and is prone to explosion, so it must be stored and transported with special caution. The following is a detailed introduction to this chemical substance.

What is Ethyl Lactate?

Chinese name: Ethyl lactate;

Chinese synonyms: L-ethyl lactate; α-hydroxypropionic acid ethyl ester; natural ethyl lactate;

English name: Ethyllactate;

English synonyms: 1-hydroxyethanecarboxylicacid, ethylester; 2-hydroxy-propanoicaciethylester; Actylol; Acytol; Ethyl2-hydroxypropanoate; Ethylalpha-hydroxypropionate; Ethylesterof; lactic acid; ethyl-2-hydroxypropanoate;

CAS No.: 97-64-3;

EINECS number: 202-598-0;

Mol file: 97-64-3.mol.

Physical properties

Physical and chemical properties: Colorless transparent liquid with a strong wine aroma.

Melting point: -26°C; [1]

Relative density (water = 1): 1.02~1.04

Boiling point (℃): 154

Relative vapor density (air = 1): 4.07

Molecular formula: C5H10O3

Molecular weight: 118.13

Heat of combustion (kJ/mol): 2736.6

Flash point(℃):46

Upper explosion limit%(V/V):11.4

Ignition temperature (℃): 400

Lower explosion limit%(V/V):1.5

Solubility: Miscible with water, miscible in alcohols, aromatics, esters, hydrocarbons, and oils.

Molecular structure data:

1. Molar refractive index: 28.48;

2. Molar volume (m3/mol): 112.4;

3. Isotonic volume (90.2K): 269.9;

4. Surface tension (dyne/cm): 33.2;

5. Polarizability (10-24cm3): 11.29.

Chemical properties

It is flammable and can cause combustion and explosion when exposed to open flame or high heat. Reacts with strong oxidants and may cause fire.

Toxicology Data:

1. Acute toxicity: oral LD50 for rats: >5mg/kg; peritoneal LDL0 for rats: 1mg/kg; oral LD50 for mice: 2500mg/kg; subcutaneous LD50 for mice: 2500mg/kg; intravenous injection LD50 for mice: 600mg/kg; skin contact LD50 for rabbits: >5mg/kg; guinea pig muscle LDL0: 2605mg/kg;

2. Acute toxicity LD50: 2500 mg/kg (oral in mice).

Computational chemistry data:

1. Hydrophobic parameter calculation reference value (XlogP): 0.2;

2. Number of hydrogen bond donors: 1;

3. Number of hydrogen bond acceptors: 3;

4. Number of rotatable chemical bonds: 3;

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 46.5;

7. Number of heavy atoms: 8;

8. Surface charge: 0;

9. Complexity: 79.7;

10. Number of isotope atoms: 0;

11. Determine the number of atomic stereocenters: 0;

12. Number of uncertain atomic stereocenters: 1;

13. Determine the number of chemical bond stereocenters: 0;

14. Number of uncertain chemical bond stereocenters: 0;

15. Number of covalent bond units: 1.

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