| Name: | (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 |
| CAS Number: | 79683-94-6 |  3D/inchi
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| FDA UNII: | Search |
| XlogP3-AA: | 1.90 (est) |
| Molecular Weight: | 316.39708000 |
| Formula: | C19 H24 O4 |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) |
Category:natural substances and extractives
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Assay: | 95.00 to 100.00
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| Food Chemicals Codex Listed: | No |
| Boiling Point: | 526.52 °C. @ 760.00 mm Hg (est)
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| Flash Point: | 547.00 °F. TCC ( 286.30 °C. ) (est)
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| 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:
Suppliers:
Safety Information:
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| 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 |
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| Pictogram | |
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| Hazard statement(s) |
| None found. |
| Precautionary statement(s) |
| None found. |
| Oral/Parenteral Toxicity: |
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Not determined
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| Dermal Toxicity: |
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Not determined
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| Inhalation Toxicity: |
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Not determined
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Safety in Use Information:
| Category: | | natural substances and extractives |
| Recommendation for 12-hydroxysecophenol usage levels up to: | | | not for fragrance use.
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| Recommendation for 12-hydroxysecophenol flavor usage levels up to: |
| | not for flavor use.
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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:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
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 |
Articles:
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