Articles:
6(1H)-azulenone, 2,3,3a,7,8,8a-hexahydro-1-hydroxy-1,4-dimethyl-7-(1-methylethylidene)-, (1S,3aR,8aS)-
Notes:
epiprocurcumenol is the (1s-(1alpha,3aalpha,8aalpha))-isomer; a tnf-alpha antagonist isolated from curcuma zedoaria. Constit. of the dried rhizomes of Curcuma zedoaria (zedoary) and Curcuma longa (turmeric)
| CAS Number: | 21698-40-8 |  3D/inchi
|
| XlogP3-AA: | 2.30 (est) | |
| Molecular Weight: | 234.33874000 | |
| Formula: | C15 H22 O2 | |
| 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: | 360.10 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 308.00 °F. TCC ( 153.60 °C. ) (est) |
| logP (o/w): | 3.130 (est) |
| Soluble in: | |
| water, 117.5 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Coompo |
| For experimental / research use only. |
| Procurcumenol from Plants ≥95% |
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 | |
Safety in Use Information:
| Category: | natural substances and extractives | ||
| Recommendation for procurcumenol usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for procurcumenol 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 : | 189061 |
| National Institute of Allergy and Infectious Diseases: | Data |
| (3S,3aS,8aR)-3-hydroxy-3,8-dimethyl-5-propan-2-ylidene-2,3a,4,8a-tetrahydro-1H-azulen-6-one | |
| Chemidplus: | 0021698408 |
References:
| (3S,3aS,8aR)-3-hydroxy-3,8-dimethyl-5-propan-2-ylidene-2,3a,4,8a-tetrahydro-1H-azulen-6-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 189061 |
| Pubchem (sid): | 135165529 |
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB36427 |
| FooDB: | FDB015314 |
| 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
| turmeric rhizome Search Trop Picture | |
| zedoary rhizome Search Trop Picture |
Synonyms:
| 6(1H)- | azulenone, 2,3,3a,7,8,8a-hexahydro-1-hydroxy-1,4-dimethyl-7-(1-methylethylidene)-, (1S,3aR,8aS)- |
| (3S,3aS,8aR)-3- | hydroxy-3,8-dimethyl-5-propan-2-ylidene-2,3a,4,8a-tetrahydro-1H-azulen-6-one |
| (3S,3aS,8aR)-3- | hydroxy-5-isopropylidene-3,8-dimethyl-2,3,3a,4,5,8a-hexahydro-6(1H)-azulenone |
| (3S,3aS,8aR)-3- | hydroxy-5-isopropylidene-3,8-dimethyl-2,3,3a,4,5,8a-hexahydroazulen-6(1H)-one |