(E,Z)-tobacco cyclohexenone
(E,Z)-tabanone
 
Notes:
None found
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CAS Number: 5298-13-5Picture of molecule3D/inchi
% from: 50.00%
ECHA EINECS - REACH Pre-Reg: 226-145-1
FDA UNII: ER2A7N6WBO
XlogP3-AA: 2.60 (est)
Molecular Weight: 190.28566000
Formula: C13 H18 O
NMR Predictor: Predict (works with chrome or firefox)
Category: information only not used for fragrances or flavors
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
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US Patents: Search
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Physical Properties:
Appearance: pale yellow to yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 289.00 to  290.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.002000 mmHg @ 25.00 °C. (est)
Flash Point: 257.00 °F. TCC ( 124.80 °C. ) (est)
logP (o/w): 3.588 (est)
Soluble in:
 alcohol
 water, 12.48 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
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: information only not used for fragrances or flavors
Recommendation for (E,Z)-tobacco cyclohexenone usage levels up to:
 not for fragrance use.
 
Recommendation for (E,Z)-tobacco cyclohexenone 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 : 6437596
National Institute of Allergy and Infectious Diseases: Data
 (4E)-4-[(Z)-but-2-enylidene]-3,5,5-trimethylcyclohex-2-en-1-one
Chemidplus: 0005298135
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References:
 (4E)-4-[(Z)-but-2-enylidene]-3,5,5-trimethylcyclohex-2-en-1-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 6437596
Pubchem (sid): 135066901
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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
 plumcot fruit
Search  PMC Picture
 tobacco
Search Trop  Picture
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Synonyms:
(E,Z)-4-but-2-enylidene-3,5,5-trimethyl cyclohex-2-enone
(4E)-4-[(Z)-but-2-enylidene]-3,5,5-trimethylcyclohex-2-en-1-one
(E,Z)-butenylidene trimethyl cyclohexenone
(4E)-4-((2Z)-butenylidene)-3,5,5-trimethyl cyclohex-2-en-1-one
(E,Z)-4-(2-butenylidene)-3,5,5-trimethyl cyclohex-2-en-1-one
(E,Z)-4-(butenylidene)-3,5,5-trimethyl-2-cyclohexen-1-one
(E,Z)-4-(2-butenylidene)-3,5,5-trimethylcyclohex-2-en-1-one
(E,Z)-megastigma-4,6,8-trien-3-one
(E,Z)-megastigmatrienone
(E,Z)-tabanone
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Articles:
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