| Name: | (3aS,5aR,9aR,9bS)-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one |
| CAS Number: | 2221-81-0 |  3D/inchi
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| FDA UNII: | Search |
| Nikkaji Web: | J15.094K |
| XlogP3-AA: | 3.30 (est) |
| Molecular Weight: | 232.32280000 |
| Formula: | C15 H20 O2 |
| 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: | 364.00 to 365.00 °C. @ 760.00 mm Hg (est)
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| Flash Point: | 306.00 °F. TCC ( 152.30 °C. ) (est)
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| logP (o/w): | 2.598 (est) |
| Soluble in: |
| | water, 47.24 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 |
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| 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 cyclocostunolide usage levels up to: | | | not for fragrance use.
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| Recommendation for cyclocostunolide 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 :442191 |
| National Institute of Allergy and Infectious Diseases:Data |
| (3aS,5aR,9aR,9bS)-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one |
| Chemidplus:0002221810 |
References:
| | (3aS,5aR,9aR,9bS)-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 442191 |
| Pubchem (sid): | 135246486 |
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| (3aS,5aR,9aR,9bS)-5a,9- | dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one | | | naphtho[1,2-b]furan-2(3H)-one, 3a,4,5,5a,6,7,9a,9b-octahydro-5a,9-dimethyl-3-methylene-, (3aS,5aR,9aR,9bS)- | | (3aS-(3aalpha,5abeta,9aalpha,9bbeta))-3a,4,5,5a,6,7,9a,9b- | octahydro-5a,9-dimethyl-3-methylene naphtho(1,2-b)furan-2(3H)-one |
Articles:
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