| Name: | [(1S,4aR,6R,7R,7aR)-6-hydroxy-4,7-bis(hydroxymethyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate |
| CAS Number: | 76319-15-8 |  3D/inchi
|
| FDA UNII: | Search |
| Beilstein Number: | 1654981 |
| XlogP3-AA: | 0.50 (est) |
| Molecular Weight: | 300.35148000 |
| Formula: | C15 H24 O6 |
| 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: | 476.78 °C. @ 760.00 mm Hg (est)
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| Flash Point: | 345.00 °F. TCC ( 173.60 °C. ) (est)
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| logP (o/w): | -0.373 (est) |
| Soluble in: |
| | water, 1.625e+004 mg/L @ 25 °C (est) |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
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: |
intraperitoneal-mouse LD50 182 mg/kg
SKIN AND APPENDAGES (SKIN): HAIR: OTHER
BEHAVIORAL: ANTIPSYCHOTIC
BEHAVIORAL: TREMOR
Shoyakugaku Zasshi. Journal of Pharmacognosy. Vol. 34, Pg. 200, 1980.
intravenous-mouse LD50 143 mg/kg
SKIN AND APPENDAGES (SKIN): HAIR: OTHER
BEHAVIORAL: TREMOR
BEHAVIORAL: ANTIPSYCHOTIC
Shoyakugaku Zasshi. Journal of Pharmacognosy. Vol. 34, Pg. 200, 1980.
oral-mouse LD50 > 500 mg/kg
GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
SKIN AND APPENDAGES (SKIN): HAIR: OTHER
BEHAVIORAL: TREMOR
Shoyakugaku Zasshi. Journal of Pharmacognosy. Vol. 34, Pg. 200, 1980.
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| Dermal Toxicity: |
subcutaneous-mouse LD50 234 mg/kg
SKIN AND APPENDAGES (SKIN): HAIR: OTHER
BEHAVIORAL: TREMOR
BEHAVIORAL: ANTIPSYCHOTIC
Shoyakugaku Zasshi. Journal of Pharmacognosy. Vol. 34, Pg. 200, 1980.
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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 patrinoside-aglycone usage levels up to: | | | not for fragrance use.
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| |
| Recommendation for patrinoside-aglycone 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 :3059326 |
| National Institute of Allergy and Infectious Diseases:Data |
| [(1S,4aR,6R,7R,7aR)-6-hydroxy-4,7-bis(hydroxymethyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate |
| Chemidplus:0076319158 |
References:
| | [(1S,4aR,6R,7R,7aR)-6-hydroxy-4,7-bis(hydroxymethyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 3059326 |
| Pubchem (sid): | 135137706 |
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| | cyclopenta(c)pyran-4,7-dimethanol, 1,4a,5,6,7,7a-hexahydro-1,6-dihydroxy-, 1-isovalerate | | 1,4a,5,6,7,7a- | hexahydro-1,6-dihydroxycyclopenta(c)pyran-4,7-dimethanol 1-isovalerate | | [(1S,4aR,6R,7R,7aR)-6- | hydroxy-4,7-bis(hydroxymethyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate |
Articles:
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