borjatriol
7,14,15-trihydroxy-13-epoxylabdane
 
Notes:
diterpene from sideritis mugronensis.
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CAS Number: 52591-03-4Picture of molecule3D/inchi
Nikkaji Web: J9.953H
XlogP3-AA: 3.00 (est)
Molecular Weight: 340.50372000
Formula: C20 H36 O4
NMR Predictor: Predict (works with chrome or firefox)
Category: natural substances and extractives
 
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 472.00 to  473.00 °C. @ 760.00 mm Hg (est)
Flash Point: 463.00 °F. TCC ( 239.30 °C. ) (est)
logP (o/w): 3.276 (est)
Soluble in:
 alcohol
 water, 24.78 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
 None found
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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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: natural substances and extractives
Recommendation for borjatriol usage levels up to:
 not for fragrance use.
 
Recommendation for borjatriol 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 : 162690
National Institute of Allergy and Infectious Diseases: Data
 (1R)-1-[(3R,4aS,5S,6aS,10aS,10bR)-5-hydroxy-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]ethane-1,2-diol
Chemidplus: 0052591034
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References:
 (1R)-1-[(3R,4aS,5S,6aS,10aS,10bR)-5-hydroxy-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]ethane-1,2-diol
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 162690
Pubchem (sid): 135118527
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
CHEMBL: View
HMDB (The Human Metabolome Database): Search
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 sideritis mugronensis
Search Trop  Picture
 sideritis tragoriganum
Search Trop  Picture
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Synonyms:
(1R)-1-[(3R,4aS,5S,6aS,10aS,10bR)-5-hydroxy-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]ethane-1,2-diol
7,14,15-trihydroxy-13-epoxylabdane
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