| Name: | methyl (1S,4aS,5R,6R,8R,8aR)-5-[2-(furan-3-yl)ethyl]-5,8-dihydroxy-4a,6-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalene-1-carboxylate |
| CAS Number: | 564-12-5 |  3D/inchi
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| FDA UNII: | Search |
| XlogP3-AA: | 2.90 (est) |
| Molecular Weight: | 350.45510000 |
| Formula: | C20 H30 O5 |
| 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
|
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 458.30 °C. @ 760.00 mm Hg (est)
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| Flash Point: | 448.00 °F. TCC ( 231.00 °C. ) (est)
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| logP (o/w): | 3.470 (est) |
| Soluble in: |
| | water, 2.953 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: |
intraperitoneal-mouse LD50 115 mg/kg
Planta Medica. Vol. 7, Pg. 1, 1959.
oral-mouse LD50 370 mg/kg
Planta Medica. Vol. 7, Pg. 1, 1959.
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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 marrubic acid usage levels up to: | | | not for fragrance use.
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| Recommendation for marrubic acid 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 :200146 |
| National Institute of Allergy and Infectious Diseases:Data |
| methyl (1S,4aS,5R,6R,8R,8aR)-5-[2-(furan-3-yl)ethyl]-5,8-dihydroxy-4a,6-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalene-1-carboxylate |
| Chemidplus:0000564125 |
References:
| | methyl (1S,4aS,5R,6R,8R,8aR)-5-[2-(furan-3-yl)ethyl]-5,8-dihydroxy-4a,6-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalene-1-carboxylate |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 200146 |
| Pubchem (sid): | 135178330 |
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| 6-beta,9- | dihydroxy-15,16-epoxylabda-13(16),14-dien-19-oic acid | | | labda-13(16),14-dien-19-oic acid, 6-beta,9-dihydroxy-15,16-epoxy- | | | marrubinsaeure | | | methyl (1S,4aS,5R,6R,8R,8aR)-5-[2-(furan-3-yl)ethyl]-5,8-dihydroxy-4a,6-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalene-1-carboxylate | | 1- | naphthalenecarboxylic acid, 5-(2-(3-furanyl)ethyl)decahydro-5,8-dihydroxy-1,4a,6-trimethyl-, (1S-(1-alpha,4a-alpha,5-beta,6-beta,8-alpha,8a-beta)- |
Articles:
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