EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

(E,E)-tobacco cyclohexenone
(E,E)-tabanone

Supplier Sponsors

Name:(4E)-4-[(E)-but-2-enylidene]-3,5,5-trimethylcyclohex-2-en-1-one
CAS Number: 5164-78-3Picture of molecule3D/inchi
% from:50.00%
ECHA EINECS - REACH Pre-Reg:225-943-7
FDA UNII: 9XFN7T7VV5
XlogP3-AA:2.60 (est)
Molecular Weight:190.28566000
Formula:C13 H18 O
NMR Predictor:Predict (works with chrome, Edge 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
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
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): 3.381 (est)
Soluble in:
 alcohol
 water, 12.48 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
(E,E)-4-(2-Butenylidene)-3,5,5-trimethylcyclohex-2-en-1-one
 
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
 
Safety in Use Information:
Category:
information only not used for fragrances or flavors
Recommendation for (E,E)-tobacco cyclohexenone usage levels up to:
 not for fragrance use.
 
Recommendation for (E,E)-tobacco cyclohexenone flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6437348
National Institute of Allergy and Infectious Diseases:Data
(4E)-4-[(E)-but-2-enylidene]-3,5,5-trimethylcyclohex-2-en-1-one
Chemidplus:0005164783
 
References:
 (4E)-4-[(E)-but-2-enylidene]-3,5,5-trimethylcyclohex-2-en-1-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6437348
Pubchem (sid):135063840
 
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
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 plumcot fruit
Search PMC Picture
 tobacco
Search Trop Picture
 
Synonyms:
(E,E)-4-but-2-enylidene-3,5,5-trimethyl cyclohex-2-enone
trans-trans-4-but-2-enylidene-3,5,5-trimethyl cyclohex-2-enone
(4E)-4-[(E)-but-2-enylidene]-3,5,5-trimethylcyclohex-2-en-1-one
(E,E)-butenylidene trimethyl cyclohexenone
trans-trans-butenylidene trimethyl cyclohexenone
(4E)-4-((2E)-butenylidene)-3,5,5-trimethyl cyclohex-2-en-1-one
(E,E)-4-(2-butenylidene)-3,5,5-trimethyl cyclohex-2-en-1-one
trans-trans-4-(2-butenylidene)-3,5,5-trimethyl cyclohex-2-en-1-one
(E,E)-4-(butenylidene)-3,5,5-trimethyl-2-cyclohexen-1-one
trans-trans-4-(butenylidene)-3,5,5-trimethyl-2-cyclohexen-1-one
(E,E)-4-(2-butenylidene)-3,5,5-trimethylcyclohex-2-en-1-one
trans-trans-4-(2-butenylidene)-3,5,5-trimethylcyclohex-2-en-1-one
(E,E)-megastigma-4,6,8-trien-3-one
trans-trans-megastigma-4,6,8-trien-3-one
(E,E)-megastigmatrienone
trans-trans-megastigmatrienone
(E,E)-tabanone
trans-trans-tabanone
trans-trans-tobacco cyclohexenone
 
 
Notes:
None found
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