theogallin
 
Notes:
None found
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CAS Number: 53584-43-3Picture of molecule3D/inchi
Nikkaji Web: J727.537D
XlogP3-AA: -1.20 (est)
Molecular Weight: 344.27352000
Formula: C14 H16 O10
NMR Predictor: Predict (works with chrome or firefox)
Category: natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Soluble in:
 water, 1e+006 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
 None found
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Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: natural substances and extractives
Recommendation for theogallin usage levels up to:
 not for fragrance use.
 
Recommendation for theogallin flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 14520970
National Institute of Allergy and Infectious Diseases: Data
 (1R,3R,4S,5R)-1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid
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References:
 (1R,3R,4S,5R)-1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 14520970
Pubchem (cas): 53584-43-3
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
HMDB (The Human Metabolome Database): HMDB39287
FooDB: FDB018832
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 camellia sinensis fermented leaf
Search Trop  Picture
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Synonyms:
5-Galloylquinic acid
(1R,3R,4S,5R)-1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid
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Articles:
PubMed: Prediction of Chinese green tea ranking by metabolite profiling using ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF/MS).
PubMed: Interactive effects of UV radiation and reduced precipitation on the seasonal leaf phenolic content/composition and the antioxidant activity of naturally growing Arbutus unedo plants.
PubMed: Integrating satellite images and spectroscopy to measuring green and black tea quality.
PubMed: Identifications of inhibitors of IgE production by human lymphocytes isolated from 'Cha Chuukanbohon Nou 6' tea leaves.
PubMed: Identification of a major polyphenol and polyphenolic composition in leaves of Camellia irrawadiensis.
PubMed: Rat electropharmacograms of the flavonoids rutin and quercetin in comparison to those of moclobemide and clinically used reference drugs suggest antidepressive and/or neuroprotective action.
PubMed: Source density analysis of the human EEG after ingestion of a drink containing decaffeinated extract of green tea enriched with L-theanine and theogallin.
PubMed: Theogallin and L-theanine as active ingredients in decaffeinated green tea extract: II. Characterization in the freely moving rat by means of quantitative field potential analysis.
PubMed: Theogallin and L-theanine as active ingredients in decaffeinated green tea extract: I. electrophysiological characterization in the rat hippocampus in-vitro.
PubMed: Molecular and sensory studies on the umami taste of Japanese green tea.
PubMed: LC-SSI-MS techniques as efficient tools for characterization of nonvolatile phenolic compounds of a special Hungarian wine.
PubMed: Metabolite profiling using (1)H NMR spectroscopy for quality assessment of green tea, Camellia sinensis (L.).
PubMed: Black tea represents a major source of dietary phenolics among regular tea drinkers.
PubMed: Thermospray-LC-MS analysis of various groups of polyphenols in tea. I. Catechins, flavonol O-glycosides and flavone C-glycosides.
PubMed: Green tea composition, consumption, and polyphenol chemistry.
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