(S)-8,9-dehydrotheaspirone
(S)-2,6,10,10-tetramethyl-1-oxaspiro(4.5)deca-7,9-dien-3-one
 
Notes:
The more odiferous enantiomer of the compound 8,9-Dehydrotheaspirone, a flavour and perfumery ingredient [CCD]
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CAS Number: 85248-56-2 
XlogP3-AA: 2.20 (est)
Molecular Weight: 206.28486000
Formula: C13 H18 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring agents
 
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JECFA Food Flavoring: 2059  (-)-8,9-dehydrotheaspirone
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Melting Point: 175.00 to  180.00 °C. @ 760.00 mm Hg
Boiling Point: 303.40 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.001000 mmHg @ 25.00 °C. (est)
Flash Point: 258.00 °F. TCC ( 125.70 °C. ) (est)
logP (o/w): 2.634 (est)
Soluble in:
 alcohol
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: woody
 
Odor Strength: medium
 
 camphoreous  woody  
Odor Description:
at 100.00 %. 
camphor woody
 
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: flavoring agents
Recommendation for (S)-8,9-dehydrotheaspirone usage levels up to:
 not for fragrance use.
 
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Safety References:
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 6428985
National Institute of Allergy and Infectious Diseases: Data
 (S)-2,6,10,10-tetramethyl-1-oxaspiro[4.5]deca-7,9-dien-3-one
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References:
Leffingwell: Chirality or Article
 (S)-2,6,10,10-tetramethyl-1-oxaspiro[4.5]deca-7,9-dien-3-one
Pubchem (cid): 6428985
Pubchem (sid): 10545002
Pherobase: View
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Other Information:
HMDB (The Human Metabolome Database): HMDB35181
FooDB: FDB021770
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
 found in nature
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Synonyms:
(-)-8,9-dehydrotheaspirone
(S)-2,6,10,10-tetramethyl-1-oxaspiro(4.5)deca-7,9-dien-3-one
(S)-2,6,10,10-tetramethyl-1-oxaspiro[4.5]deca-7,9-dien-3-one
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