CAS 327-97-9|Chlorogenic acid

Introduction:Basic information about CAS 327-97-9|Chlorogenic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameChlorogenic acid
CAS Number327-97-9Molecular Weight354.309
Density1.7±0.1 g/cm3Boiling Point665.0±55.0 °C at 760 mmHg
Molecular FormulaC16H18O9Melting Point210 °C (dec.)(lit.)
MSDSChineseUSAFlash Point245.5±25.0 °C

Names

Namechlorogenic acid
SynonymMore Synonyms

Chlorogenic acid BiologicalActivity

DescriptionChlorogenic acid is a major phenolic compound in coffee and tea. It plays several important and therapeutic roles such as antioxidant activity, antibacterial, hepatoprotective, cardioprotective, anti-inflammatory, antipyretic, neuroprotective, anti-obesity, antiviral, anti-microbial, anti-hypertension.
Related CatalogSignaling Pathways >>Metabolic Enzyme/Protease >>HIF/HIF Prolyl-HydroxylaseResearch Areas >>Inflammation/ImmunologyNatural Products >>Phenylpropanoids
References

[1]. Park JJ, et al. Chlorogenic acid inhibits hypoxia-induced angiogenesis via down-regulation of the HIF-1α/AKT pathway. Cell Oncol (Dordr). 2015 Jan 6.

[2]. Park SH, et al. IRAK4 as a Molecular Target in the Amelioration of Innate Immunity-Related Endotoxic Shock and Acute Liver Injury by Chlorogenic Acid. J Immunol. 2015 Feb 1;194(3):1122-30.

[3]. Kang JW, et al. Protective Effects of Chlorogenic Acid against Experimental Reflux Esophagitis in Rats. Biomol Ther (Seoul). 2014 Sep;22(5):420-5.

Chemical & Physical Properties

Density1.7±0.1 g/cm3
Boiling Point665.0±55.0 °C at 760 mmHg
Melting Point210 °C (dec.)(lit.)
Molecular FormulaC16H18O9
Molecular Weight354.309
Flash Point245.5±25.0 °C
Exact Mass354.095093
PSA164.75000
LogP-0.36
Vapour Pressure0.0±2.1 mmHg at 25°C
Index of Refraction1.690
Water SolubilitySOLUBLE IN HOT WATER

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 EquipmentEyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard CodesXi: Irritant;
Risk PhrasesR68
Safety PhrasesS24/25
RIDADRNONH for all modes of transport
WGK Germany3
RTECSGU8480000

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Synonyms

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
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