Articles:
| PubMed: | Pseudomonas mutant strains that accumulate androstane and seco-androstane intermediates from bile acids. |
3,12-dihydroxy-9(10)-secoandrosta-1,3,5(10)-triene-9,17-dione
Notes:
accumulated by pseudomonas mutant strains from bile acids.
| CAS Number: | 79683-94-6 |  3D/inchi
|
| XlogP3-AA: | 1.90 (est) | |
| Molecular Weight: | 316.39708000 | |
| Formula: | C19 H24 O4 | |
| 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: | 526.52 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 547.00 °F. TCC ( 286.30 °C. ) (est) |
| logP (o/w): | 0.214 (est) |
| Soluble in: | |
| water, 5779 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| None found |
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 12-hydroxysecophenol usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for 12-hydroxysecophenol 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 : | 133257 |
| National Institute of Allergy and Infectious Diseases: | Data |
| (3aS,4S,7R,7aR)-7-hydroxy-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione | |
| Chemidplus: | 0079683946 |
References:
| (3aS,4S,7R,7aR)-7-hydroxy-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 133257 |
| Pubchem (sid): | 135087969 |
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): | Search |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| found in nature |
Synonyms:
| 3,12- | dihydroxy-9(10)-secoandrosta-1,3,5(10)-triene-9,17-dione |
| 3,12- | dsatd |
| (3aS-(3aalpha,4alpha,7beta,7abeta))- | hexahydro-7-hydroxy-4-(2-(5-hydroxy-2-methyl phenyl)ethyl)-7a-methyl-1H-indene-1,5(4H)-dione |
| (3aS,4S,7R,7aR)-7- | hydroxy-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione |