Chlorogenic acid numbering system

Chlorogenic acid is an organic compound with the chemical formula C16H18O9. It is one of the main antibacterial and antiviral effective pharmacological components of honeysuckle. Semi hydrate is acicular crystal (water). It becomes an anhydrous compound at 110 ℃. The solubility in 25 ℃ water is 4%, and the solubility in hot water is greater. Easily soluble in ethanol and acetone, very slightly soluble in ethyl acetate.

Chlorogenic acid has a wide range of antibacterial effects, but it can be inactivated by proteins in vivo. Similar to caffeic acid, oral or intraperitoneal injection can improve the central excitability of rats. It can increase the small intestine peristalsis of rats and mice and the uterine tension of rats. It has cholagogic effect and can enhance bile secretion of rats. It has sensitization effect on people. After inhaling the plant dust containing this product, asthma and dermatitis may occur.

Chlorogenic acid numbering system

CAS No. 327-97-9

MDL No.: MFCD00003862

EINECS No. 206-325-6

RTECS No.: GU8480000

BRN No.: 2017157

PubChem No.:

Physical property data of chlorogenic acid

1. Character: Semi hydrate is needle crystal (from water). It becomes an anhydrous compound at 110 ℃.

2. Density (g/mL, 25/4 ℃): 1.65

3. Relative steam density (g/mL, air=1): not available

4. Melting point (º C): 208

5. Boiling point (º C, normal pressure): not available

6. Boiling point (º C, 5.2kPa): not available

7. Refractive index: not available

8. Flash point (º C): Not available

9. Specific rotation (º): – 36

10. Self ignition point or ignition temperature (º C): not available

11. Vapor pressure (kPa, 25 º C): not available

12. Saturated vapor pressure (kPa, 60 º C): not available

13. Combustion heat (KJ/mol): unavailable

14. Critical temperature (º C): Not available

15. Critical pressure (KPa): not available

16. Logarithmic value of oil-water (octanol/water) partition coefficient: not available

17. Upper explosive limit (%, V/V): Not available

18. Lower explosive limit (%, V/V): not available

19. Solubility: The solubility in 25 ℃ water is about 4%, and the solubility in hot water is greater. Easily soluble in ethanol and acetone. Extremely soluble in ethyl acetate.  

Molecular structure data of chlorogenic acid

1. Molar refractive index: 82.03

2. Molar volume (cm3/mol): 214.5

3. Isotonic specific volume (90.2K): 681.7

4. Surface tension (dyne/cm): 101.9

5. Polarization ratio (10-24cm3): 32.52

Toxicological data of chlorogenic acid

Acute toxicity: minimum lethal dose (rat, abdominal cavity) 4000mg/kg.  

Ecological data of chlorogenic acid

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

Chemical structure of chlorogenic acid

Chlorogenic acid (hereinafter referred to as CA) is a phenolic acid generated from caffeic acid and quinic acid (1-hydroxyhexahydropogalic acid). It is a phenylpropanoid compound produced by plants through the shikimic acid pathway during aerobic respiration.

According to the different binding sites and numbers of caffeioyl on quinic acid, theoretically, there are 10 chlorogenic acid isomers composed of mono caffeioylquinic acid and dicaffeoylquinic acid, including 1-caffeioylquinic acid, 3-caffeioylquinic acid, 4-caffeioylquinic acid, 5-caffeioylquinic acid, 1,3-dicaffeioylquinic acid, 1,4-dicaffeoylquinic acid, 1,5-dicaffeoylquinic acid, 3,4-dicaffeoylquinic acid 3,5-dicaffeoylquinic acid, 4,5-dicaffeoylquinic acid. Chlorogenic acid isomers found in plants are as follows: chlorogenic acid (3-caffeoylquinic acid), cryptochlorogenic acid (Band510) (4-caffeoylquinic acid), neochlorogenic acid (5-caffeoylquinic acid), isochlorogenic acid A (3,5-dicaffeoylquinic acid), isochlorogenic acid B (3,4-dicaffeoylquinic acid), isochlorogenic acid C (4,5-dicaffeoylquinic acid), and leithisin (1,3-dicaffeoylquinic acid).