dihydrodamascone
1-(2,6,6-trimethylcyclohexyl)-2-buten-1-one
 
Notes:
None found
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CAS Number: 39900-18-0Picture of molecule3D/inchi
XlogP3-AA: 4.10 (est)
Molecular Weight: 194.31754000
Formula: C13 H22 O
NMR Predictor: Predict (works with chrome or firefox)
Category: 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: 265.00 to  266.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.009000 mmHg @ 25.00 °C. (est)
Flash Point: 220.00 °F. TCC ( 104.30 °C. ) (est)
logP (o/w): 4.075 (est)
Soluble in:
 alcohol
 water, 8.514 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: fruity
 
Odor Strength: high ,
recommend smelling in a 1.00 % solution or less
 
 fruity  floral  
Odor Description:
at 1.00 % in dipropylene glycol. 
fruity floral
 
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: fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
Recommendation for dihydrodamascone 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 Substance Registry Services (TSCA): 39900-18-0
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 6450281
National Institute of Allergy and Infectious Diseases: Data
 (E)-1-[(1R,6R)-2,2,6-trimethylcyclohexyl]but-2-en-1-one
Chemidplus: 0039900180
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References:
Leffingwell: Chirality or Article
 (E)-1-[(1R,6R)-2,2,6-trimethylcyclohexyl]but-2-en-1-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 6450281
Pubchem (sid): 135230986
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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
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
 not found in nature
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Synonyms:
2-buten-1-one, 1-(2,2,6-trimethylcyclohexyl)-
1-(2,2,6-trimethyl cyclohexyl)-2-buten-1-one
1-(2,2,6-trimethylcyclohexyl)-2-buten-1-one
1-(2,6,6-trimethylcyclohexyl)-2-buten-1-one
(E)-1-[(1R,6R)-2,2,6-trimethylcyclohexyl]but-2-en-1-one
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