(S)-delta-dodecalactone
(6S)-(-)-6-heptyltetrahydro-2H-pyran-2-one
 
Notes:
None found
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CAS Number: 108943-47-1Picture of molecule3D/inchi
FDA UNII: WIB6F8U6K2
Nikkaji Web: J102.254G
Beilstein Number: 1282749
XlogP3: 3.60 (est)
Molecular Weight: 198.30574000
Formula: C12 H22 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 295.00 to  296.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.002000 mmHg @ 25.00 °C. (est)
Flash Point: 248.00 °F. TCC ( 119.80 °C. ) (est)
logP (o/w): 3.488 (est)
Soluble in:
 alcohol
 water, 41.54 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Strength: medium
 
Odor Description:
at 100.00 %. 
fruity sweet
 
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: flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
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Safety References:
EPI System: View
AIDS Citations: Search
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Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 12844
National Institute of Allergy and Infectious Diseases: Data
 (6S)-6-heptyloxan-2-one
Chemidplus: 0000713951
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References:
Leffingwell: Chirality or Article
 (6S)-6-heptyloxan-2-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 12844
Pubchem (sid): 134977739
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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): 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
 found in nature
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Synonyms:
(S)-(-)-delta-dodecalactone
(5S)-(-)-5-heptyl pentan-5-olide
(6S)-(-)-6-heptyl tetrahydro-2H-pyran-2-one
(6S)-6-heptyloxan-2-one
(5S)-(-)-5-heptylpentan-5-olide
(6S)-(-)-6-heptyltetrahydro-2H-pyran-2-one
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