theaspirane A
1-oxaspiro[4.5]dec-6-ene, 2,6,10,10-tetramethyl-, (2R,5R)-
 
Notes:
None found
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CAS Number: 43126-22-3Picture of molecule3D/inchi
Other: 66965-88-6
FDA UNII: BH198C2TXE
Nikkaji Web: J415.515G
XlogP3-AA: 3.00 (est)
Molecular Weight: 194.31754000
Formula: C13 H22 O
NMR Predictor: Predict (works with chrome or firefox)
Category: natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 254.00 to  255.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.028000 mmHg @ 25.00 °C. (est)
Flash Point: 219.00 °F. TCC ( 103.80 °C. ) (est)
logP (o/w): 4.139 (est)
Soluble in:
 alcohol
 water, 3.796 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 theaspirane A usage levels up to:
 not for fragrance use.
 
Recommendation for theaspirane A flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 43126-22-3
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 11298500
National Institute of Allergy and Infectious Diseases: Data
 (2R,5R)-2,6,10,10-tetramethyl-1-oxaspiro[4.5]dec-6-ene
Chemidplus: 0043126223
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References:
 (2R,5R)-2,6,10,10-tetramethyl-1-oxaspiro[4.5]dec-6-ene
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 11298500
Pubchem (sid): 135251762
Pherobase: View
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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
HMDB (The Human Metabolome Database): HMDB36823
Typical G.C.
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: 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
 aloe ferox
Search Trop  Picture
 champaca concrete @ 0.02%
Data  GC  Search Trop  Picture
 minuartia meyeri
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 periwinkle madagascar periwinkle
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 quince fruit
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 rosa davurica
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 valeriana alliariifolia
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 vassoura oil @ <0.01%
Data  GC  Search Trop  Picture
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Synonyms:
1-oxaspiro(4.5)dec-6-ene, 2,6,10,10-tetramethyl-, (2R,5R)-rel-
1-oxaspiro[4.5]dec-6-ene, 2,6,10,10-tetramethyl-, (2R,5R)-
1-oxaspiro[4.5]dec-6-ene, 2,6,10,10-tetramethyl-, (2R,5R)-rel-
(2R,5R)-2,6,10,10-tetramethyl-1-oxaspiro(4.5)dec-6-ene
trans-2,6,10,10-tetramethyl-1-oxaspiro(4.5)dec-6-ene
(2R,5R)-2,6,10,10-tetramethyl-1-oxaspiro[4.5]dec-6-ene
trans-theaspirane
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Articles:
PubMed: Main odorants in Jura flor-sherry wines. Relative contributions of sotolon, abhexon, and theaspirane-derived compounds.
PubMed: Fate of key odorants in Sauternes wines through aging.
PubMed: Assessment of the volatile composition of juices of apricot, peach, and pear according to two pectolytic treatments.
PubMed: Hydrolysis of glycosidically bound volatiles from apple leaves (Cv. Anna) by Aspergillus niger beta-glucosidase affects the behavior of codling moth (Cydia pomonella L.).
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