(E)-filbert hexenone
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(E)-5-methylhex-3-en-2-one (Click)
CAS Number: 1821-29-0
FDA UNII:8L0NZD2EIQ
XlogP3-AA:1.50 (est)
Molecular Weight:112.17184000
Formula:C7 H12 O
NMR Predictor:Predict
Category:natural substances and extractives
 
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Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed:No
Boiling Point: 150.00 to  151.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:3.799000 mm/Hg @ 25.00 °C. (est)
Flash Point: 118.00 °F. TCC ( 47.80 °C. ) (est)
logP (o/w): 1.441 (est)
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Organoleptic Properties:
  
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Cosmetic Information:
None found
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Suppliers:
 None found
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Safety Information:
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)-filbert hexenone usage levels up to:
 not for fragrance use.
Recommendation for (E)-filbert hexenone flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System:View
Chemicalize.org:Calculate predicted properties
EPA ACToR:Toxicology Data
National Institute of Allergy and Infectious Diseases:Data
 (E)-5-methylhex-3-en-2-one
Chemidplus:0001821290
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References:
 (E)-5-methylhex-3-en-2-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):5363140
Pubchem (sid):135205554
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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
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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Natural Occurrence in: note
 starthistle purple starthistle
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Synonyms:
(E)-5-methyl hex-3-en-2-one
(E)-2-oxo-5-methyl hex-3-ene
(E)-5-methyl-3-hexen-2-one
(E)-5-methylhex-3-en-2-one
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click on the picture(s) below to
interact with the 3D model
Picture of molecule
Soluble in:
 alcohol
 water, 3567 mg/L @ 25 °C (est)
Insoluble in:
 water
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