| Name: | (3aR,5S,7S,8aR,9aR)-7-hydroxy-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one |
| CAS Number: | 68776-45-4 |  3D/inchi
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| FDA UNII: | Search |
| Nikkaji Web: | J2.779.826H |
| XlogP3-AA: | 2.20 (est) |
| Molecular Weight: | 248.32200000 |
| Formula: | C15 H20 O3 |
| BioActivity Summary: | listing |
| 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: | 427.00 to 428.00 °C. @ 760.00 mm Hg (est)
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| Flash Point: | 360.00 °F. TCC ( 182.30 °C. ) (est)
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| logP (o/w): | 0.601 (est) |
| Soluble in: |
| | water, 2573 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 2-hydroxyalantolactone usage levels up to: | | | not for fragrance use.
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| |
| Recommendation for 2-hydroxyalantolactone 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 :125733 |
| National Institute of Allergy and Infectious Diseases:Data |
| (3aR,5S,7S,8aR,9aR)-7-hydroxy-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one |
| Chemidplus:0068776454 |
References:
| | (3aR,5S,7S,8aR,9aR)-7-hydroxy-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 125733 |
| Pubchem (sid): | 135081129 |
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| (3aR,5S,7S,8aR,9aR)-7- | hydroxy-5,8a-dimethyl-3-methylidene-3a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one | | (3aR,5S,7S,8aR,9aR)-7- | hydroxy-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one | | 2a- | hydroxyalantolactone | | | naphtho[2,3-b]furan-2(3H)-one, 3a,5,6,7,8,8a,9,9a-octahydro-7-hydroxy-5,8a-dimethyl-3-methylene-, (3aR,5S,7S,8aR,9aR)- | | (3aR-(3aalpha,5beta,7alpha,8abeta,9aalpha))-3a,5,6,7,8,8a,9,9a- | octahydro-7-hydroxy-5,8a-dimethyl-3-methylene naphtho(2,3-b)furan-2(3H)-one |
Articles:
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