(E,Z)-3,5-octadien-2-one
(E,Z)-octa-3,5-dien-2-one
 
Notes:
None found
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(3E,5Z)-octa-3,5-dien-2-one (Click)
CAS Number: 4173-41-5Picture of molecule
XlogP3-AA: 1.80 (est)
Molecular Weight: 124.18284000
Formula: C8 H12 O
NMR Predictor: Predict (works with chrome or firefox)
Category: natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 193.00 to  195.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.437000 mm/Hg @ 25.00 °C. (est)
Flash Point: 156.00 °F. TCC ( 68.89 °C. )
logP (o/w): 1.770 (est)
Soluble in:
 alcohol
 water, 1624 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: herbal
Odor Strength: high ,
recommend smelling in a 1.00 % solution or less
 fatty  fruity  hay  green  herbal  
Odor Description:
at 1.00 % in dipropylene glycol. 
fatty fruity hay green herbal
  
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Cosmetic Information:
None found
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Suppliers:
Aston Chemical
For experimental / research use only.
3,5-Octadien-2-one, (E,Z)-
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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 (E,Z)-3,5-octadien-2-one usage levels up to:
 not for fragrance use.
 
Recommendation for (E,Z)-3,5-octadien-2-one flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 6427789
National Institute of Allergy and Infectious Diseases: Data
 (3E,5Z)-octa-3,5-dien-2-one
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References:
 (3E,5Z)-octa-3,5-dien-2-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 6427789
Pubchem (sid): 10541446
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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
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
 coffee green coffee
Search  Picture
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Synonyms:
(3E,5Z)-octa-3,5-dien-2-one
(E,Z)-octa-3,5-dien-2-one
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