Articles:
1-benzopyrylium, 3,5-bis(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-, chloride (9CI)
Notes:
Prob. occurs in pomegranate (Punica granatum)
| CAS Number: | 17334-58-6 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 241-360-0 | |
| FDA UNII: | 4OJV6238UJ | |
| MDL: | MFCD21363968 | |
| Molecular Weight: | 630.98407000 | |
| Formula: | C27 H31 Cl O15 | |
| 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 |
| Flash Point: | 32.00 °F. TCC ( 0.00 °C. ) (est) |
| Soluble in: | |
| water, 3766 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Alfa Biotechnology |
| For experimental / research use only. |
| Pelargonidin˙3,5-di-?-D-glucoside˙ 90% |
| ExtraSynthese |
| For experimental / research use only. |
| Pelargonin chloride (HPLC) ≥90% |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Pelargonin chloride |
| Sigma-Aldrich |
| For experimental / research use only. |
| Pelargonin chloride
analytical standard |
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 pelargonidin 3,5-diglucoside usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for pelargonidin 3,5-diglucoside 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 : | 167642 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| (2S,3R,4S,5S,6R)-2-[7-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride | |
| Chemidplus: | 0017334586 |
References:
| (2S,3R,4S,5S,6R)-2-[7-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 167642 |
| Pubchem (sid): | 135122404 |
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 |
| KEGG (GenomeNet): | C08725 |
| HMDB (The Human Metabolome Database): | HMDB33681 |
| FooDB: | FDB011784 |
| 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
| bean black bean seed Search Trop Picture | |
| bean field bean Search Trop Picture | |
| pea white pea Search Trop Picture | |
| pomegranate flower Search Trop Picture | |
| pomegranate fruit Search Trop Picture | |
| rose hips Search Trop Picture |
Synonyms:
| 1- | benzopyrylium, 3,5-bis(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-, chloride (9CI) |
| glucopyranoside, pelargonidin-3,5 di-, beta-D- | |
| 3,5-bis(beta-D- | glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride |
| (2S,3R,4S,5S,6R)-2-[7- | hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride |
| pelargonidin, 3,5-di-beta-D-glucopyranoside | |
| pelargonin chloride | |
| punicin |