Name: | [(1S,4aR,5S,7aS)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate |
CAS Number: | 11027-63-7 | 3D/inchi
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Other(deleted CASRN): | 31712-40-0 |
FDA UNII: | JB24Q0OT9G |
Nikkaji Web: | J924.701G |
MDL: | MFCD00210471 |
XlogP3-AA: | -1.10 (est) |
Molecular Weight: | 466.44042000 |
Formula: | C22 H26 O11 |
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: | 785.50 °C. @ 760.00 mm Hg (est)
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Flash Point: | 524.00 °F. TCC ( 273.50 °C. ) (est)
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logP (o/w): | -1.240 (est) |
Soluble in: |
| water, 2.435e+004 mg/L @ 25 °C (est) |
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
Safety Information:
Preferred SDS: View |
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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: |
Not determined
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Dermal Toxicity: |
Not determined
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Inhalation Toxicity: |
Not determined
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Safety in Use Information:
Category: | natural substances and extractives |
Recommendation for agnuside usage levels up to: | | not for fragrance use.
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Recommendation for agnuside 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 :442416 |
National Institute of Allergy and Infectious Diseases:Data |
WGK Germany:3 |
[(1S,4aR,5S,7aS)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate |
Chemidplus:0011027637 |
References:
| [(1S,4aR,5S,7aS)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate |
NIST Chemistry WebBook: | Search Inchi |
Canada Domestic Sub. List: | 11027-63-7 |
Pubchem (cid): | 442416 |
Pubchem (sid): | 163639544 |
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| buddlejoside A | [(1S,4aR,5S,7aS)-5- | hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate |
Articles:
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