Chlorogenic acid
Names
[ CAS No. ]:
327-97-9
[ Name ]:
Chlorogenic acid
[Synonym ]:
Hlorogenic acid
Chlorogenic Acid Hydrate
Caffeoyl quinic acid
Chlorogenate
(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
3-Caffeoylquinate
5-caffeoylquinic acid
3-O-Caffeoylquinic acid
3-Caffeoylquinic acid
CHLOROGENIC ACID
Chlorogenic acid,predominantly trans,from coffee seeds
3-(3,4-Dihydroxycinnamoyl)quinic Acid Hydrate
Heriguard
EINECS 206-325-6
3-mono-O-caffeoylquinic acid
MFCD00003862
Biological Activity
[Description]:
[Related Catalog]:
[References]
[Related Small Molecules]
Chemical & Physical Properties
[ Density]:
1.7±0.1 g/cm3
[ Boiling Point ]:
665.0±55.0 °C at 760 mmHg
[ Melting Point ]:
210 °C (dec.)(lit.)
[ Molecular Formula ]:
C16H18O9
[ Molecular Weight ]:
354.309
[ Flash Point ]:
245.5±25.0 °C
[ Exact Mass ]:
354.095093
[ PSA ]:
164.75000
[ LogP ]:
-0.36
[ Vapour Pressure ]:
0.0±2.1 mmHg at 25°C
[ Index of Refraction ]:
1.690
[ Water Solubility ]:
SOLUBLE IN HOT WATER
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- GU8480000
- CHEMICAL NAME :
- Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)- 1,4,5-trihydroxy-, (1S-(1-alpha,3-beta,4-alpha,5-alpha))-
- CAS REGISTRY NUMBER :
- 327-97-9
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C16-H18-O9
- MOLECULAR WEIGHT :
- 354.34
- WISWESSER LINE NOTATION :
- L6TJ AQ BQ EVQ EQ COV1U1R CQ DQ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 4 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 40 mg/kg
- SEX/DURATION :
- female 5-12 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - musculoskeletal system
MUTATION DATA
- TYPE OF TEST :
- Cytogenetic analysis
- TEST SYSTEM :
- Rodent - hamster Ovary
- DOSE/DURATION :
- 250 mg/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 111,209,1983
Safety Information
[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
[ Hazard Codes ]:
Xi: Irritant;
[ Risk Phrases ]:
R68
[ Safety Phrases ]:
S24/25
[ RIDADR ]:
NONH for all modes of transport
[ WGK Germany ]:
3
[ RTECS ]:
GU8480000
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Articles
Pharm. Biol. 53(6) , 800-6, (2015)
The number of multidrug resistant (MDR) microorganisms is increasing and the antimicrobial resistance expressed by these pathogens is generating a rising global health crisis. In fact, there are only ...
Pathway as a pharmacological target for herbal medicines: an investigation from reduning injection.PLoS ONE 10(4) , e0123109, (2015)
As a rich natural resource for drug discovery, Traditional Chinese Medicine (TCM) plays an important role in complementary and alternative medical systems. TCM shows a daunting complexity of compounds...
Antioxidant properties, phenolic composition and potentiometric sensor array evaluation of commercial and new blueberry (Vaccinium corymbosum) and bog blueberry (Vaccinium uliginosum) genotypes.Food Chem. 188 , 583-90, (2015)
Antioxidant properties of juices of newly bred and known blueberry (Vaccinium corymbosum) genotypes and wild bog blueberry (Vaccinium uliginosum) were evaluated by ABTS(+) scavenging capacity (RSC), f...