Articles:
(2S,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-chromanetriol
Notes:
Isol. in small amt. from Acacia catechu (black catechu), prob. as artifact of epimerisation
(-)-Catechin or ent-Catechin is one of the 4 catechin diastereoisomers.
| CAS Number: | 18829-70-4 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 242-611-7 | |
| FDA UNII: | FHB0GX3D44 | |
| Nikkaji Web: | J21.708E | |
| MDL: | MFCD00135997 | |
| XlogP3: | 0.40 (est) | |
| Molecular Weight: | 290.27178000 | |
| Formula: | C15 H14 O6 | |
| BioActivity Summary: | listing | |
| 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 |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 630.40 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 635.00 °F. TCC ( 335.00 °C. ) (est) |
| logP (o/w): | 0.490 (est) |
| Soluble in: | |
| water, 6.311e+004 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Nacalai USA |
| For experimental / research use only. |
| (-)-Catechin [(-)-C] |
| Sigma-Aldrich: Sigma |
| For experimental / research use only. |
| (-)-Catechol ≥97% (HPLC), from green tea |
Safety Information:
| Preferred SDS: View | |
| 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 | |
Safety in Use Information:
| Category: | natural substances and extractives | ||
| Recommendation for (-)-catechol usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for (-)-catechol flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 73160 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| (2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol | |
| Chemidplus: | 0018829704 |
References:
| (2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 73160 |
| Pubchem (sid): | 135031445 |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| Golm Metabolome Database: | Search |
| KEGG (GenomeNet): | C14079 |
| HMDB (The Human Metabolome Database): | HMDB37953 |
| FooDB: | FDB017125 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| acacia catechu Search Trop Picture | |
| cotton stem Search Trop Picture | |
| pomegranate fruit Search Trop Picture | |
| tea green tea Search Trop Picture |
Synonyms:
| 1H- | benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2S,3R)- |
| 2H-1- | benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2S,3R)- |
| epi- | catechin |
| (2S,3R)-2-(3,4- | dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol |
| (2S,3R)-2-(3,4- | dihydroxyphenyl)-3,4-dihydro-1H-benzopyran-3,5,7-triol |
| (2S-trans)-2-(3,4- | dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol |
| (2S,3R)-2-(3,4- | dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| (2S,3R)-2-(3,4- | dihydroxyphenyl)-3,5,7-chromanetriol |
| (2S,3R)-2-(3,4- | dihydroxyphenyl)chroman-3,5,7-triol |
| (2S,3R)-2-(3,4- | dihydroxyphenyl)chromane-3,5,7-triol |