| Name: | [(3aR,4S,6Z,10E,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (3R)-3,4-dihydroxy-2-methylidenebutanoate |
| CAS Number: | 24394-09-0 |  3D/inchi
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| ECHA EINECS - REACH Pre-Reg: | 246-221-8 |
| FDA UNII: | C998MWY30L |
| MDL: | MFCD00075707 |
| XlogP3-AA: | 0.20 (est) |
| Molecular Weight: | 378.42162000 |
| Formula: | C20 H26 O7 |
| 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 |
| Melting Point: | 143.00 °C. @ 760.00 mm Hg
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| Boiling Point: | 622.30 °C. @ 760.00 mm Hg (est)
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| Flash Point: | 426.00 °F. TCC ( 219.10 °C. ) (est)
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| logP (o/w): | 2.320 (est) |
| Soluble in: |
| | water, 714.8 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: |
oral-mouse LD50 452 mg/kg
Planta Medica. Vol. 53, Pg. 247, 1987.
intraperitoneal-mouse LDLo 25 mg/kg
Planta Medica. Vol. 29, Pg. 179, 1976.
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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 |
| |
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 :6436586 |
| National Institute of Allergy and Infectious Diseases:Data |
| [(3aR,4S,6Z,10E,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (3R)-3,4-dihydroxy-2-methylidenebutanoate |
| Chemidplus:0024394090 |
References:
| | [(3aR,4S,6Z,10E,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (3R)-3,4-dihydroxy-2-methylidenebutanoate |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 6436586 |
| Pubchem (sid): | 135047846 |
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| | cnicine | | | germacra-1(10),4,11(13)-trien-12-oic acid, 6-alpha,8-alpha,15-trihydroxy-, 12,6-lactone, 8-(3,4-dihydroxy-2-methylenebutyrate) | | [(3aR,4S,6Z,10E,11aR)-10-( | hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (3R)-3,4-dihydroxy-2-methylidenebutanoate | | 2,3,3a,4,5,8,9,11a- | octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca(b)furan-4-yl 3,4-dihydroxy-2-methylenebutyrate |
Articles:
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