(-)-Gallocatechin gallate

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Names

[ CAS No. ]:
4233-96-9

[ Name ]:
(-)-Gallocatechin gallate

[Synonym ]:
Benzoic acid, 3,4,5-trihydroxy-, (2S,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester
(−)-Gallocatechin gallate
(-)-Gallocatechin gallate
(2S,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
Gallocatechin gallate
MFCD00214298
GCG
[(2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
(-)-Gallocatechin 3-O-gallate

Chemical & Physical Properties

[ Density]:
1.9±0.1 g/cm3

[ Boiling Point ]:
909.1±65.0 °C at 760 mmHg

[ Molecular Formula ]:
C22H18O11

[ Molecular Weight ]:
458.372

[ Flash Point ]:
320.0±27.8 °C

[ Exact Mass ]:
458.084900

[ PSA ]:
197.37000

[ LogP ]:
2.08

[ Vapour Pressure ]:
0.0±0.3 mmHg at 25°C

[ Index of Refraction ]:
1.857

[ Storage condition ]:
2-8°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DH9000000
CHEMICAL NAME :
Benzoic acid, 3,4,5-trihydroxy-, 3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)- 2H-1-benzopyran-3-yl ester, (2S-trans)-
CAS REGISTRY NUMBER :
4233-96-9
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C22-H18-O11
MOLECULAR WEIGHT :
458.40

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JKXXAF Japanese Kokai Tokyo Koho Patents. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #93-944

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
DH9000000

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Related Compounds

  • Gallocatechin gallate
  • (-)-Gallocatechin
  • Gallocatechin-(4α->8)-gallocatechin-(4α->8)-catechin
  • Gallocatechin-(4α→8)-catechin
  • Gallocatechin
  • gallocatechin-(4α->6)-epigallocatechin
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  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • Ethyl 3-(morpholin-3-yl)prop-2-ynoate
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • 3-{2-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)phenyl]-N-methylacetamido}propanoic acid
  • tert-Butyl-DL-alanine