(E,E)-5,6,7,7-tetramethyl-2,5-octadien-4-one
(2E,5E)-5,6,7,7-tetramethyl-2,5-octadien-4-one
 
Notes:
None found
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(2E,5E)-5,6,7,7-tetramethylocta-2,5-dien-4-one (Click)
CAS not foundNF0133Picture of molecule
Nikkaji Web: J1.589.130K
XlogP3-AA: 3.90 (est)
Molecular Weight: 180.29060000
Formula: C12 H20 O
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
 
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 249.87 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.022000 mm/Hg @ 25.00 °C. (est)
Flash Point: 205.00 °F. TCC ( 96.10 °C. ) (est)
logP (o/w): 3.094 (est)
Soluble in:
 water, 19.28 mg/L @ 25 °C (est)
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Organoleptic Properties:
Odor Type: fruity
Odor Strength: medium ,
recommend smelling in a 1.00 % solution or less
 fruity  apple  fruit dried fruit  celery  jasmin  herbal  
Odor Description:
at 1.00 % in dipropylene glycol. 
fruity, intensively reminiscent of apples, but also strongly reminiscent of dried fruits, having a somewhat celery- and jasmone-like side, and agrestic aspects
  
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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
 
Recommendation for (E,E)-5,6,7,7-tetramethyl-2,5-octadien-4-one flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
Laboratory Chemical Safety Summary : 11008539
 (2E,5E)-5,6,7,7-tetramethylocta-2,5-dien-4-one
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References:
 (2E,5E)-5,6,7,7-tetramethylocta-2,5-dien-4-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 11008539
Pubchem (sid): 76913593
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (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:
(2E,5E)-5,6,7,7-tetramethyl-2,5-octadien-4-one
(2E,5E)-5,6,7,7-tetramethylocta-2,5-dien-4-one
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