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1-(4-methyl-3-cyclohexen-1-yl) ethanone
ethanone, 1-(4-methyl-3-cyclohexen-1-yl)-

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Name:1-(4-methylcyclohex-3-en-1-yl)ethanone
CAS Number: 6090-09-1Picture of molecule3D/inchi
Other(deleted CASRN):70286-20-3
FDA UNII: X7R8GY320M
Nikkaji Web:J47.859H
Beilstein Number:3196241
XlogP3-AA:1.30 (est)
Molecular Weight:138.20978000
Formula:C9 H14 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:flavoring agents
 
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
FEMA Number:4827 1-(4-methyl-3-cyclohexen-1-yl)-ethanone
FDA:No longer provide for the use of these seven synthetic flavoring substances
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 189.50 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.600000 mmHg @ 25.00 °C. (est)
Flash Point: 170.00 °F. TCC ( 76.70 °C. ) (est)
logP (o/w): 2.190 (est)
Soluble in:
 water, 811 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Sigma-Aldrich: Aldrich
For experimental / research use only.
4-Acetyl-1-methyl-1-cyclohexene 98%
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
Safety Information:
Preferred SDS: View
 
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:
flavoring agents
Recommendation for 1-(4-methyl-3-cyclohexen-1-yl) ethanone usage levels up to:
 not for fragrance use.
 
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 28
Click here to view publication 28
 average usual ppmaverage maximum ppm
baked goods: 0.500001.50000
beverages(nonalcoholic): 0.050002.50000
beverages(alcoholic): 0.500002.50000
breakfast cereal: 0.500002.50000
cheese: 0.200002.50000
chewing gum: 0.500002.50000
condiments / relishes: 0.200002.50000
confectionery froastings: 0.500002.50000
egg products: 0.050000.25000
fats / oils: 0.500002.50000
fish products: 0.050000.15000
frozen dairy: 0.500002.50000
fruit ices: 0.500002.50000
gelatins / puddings: 0.500001.50000
granulated sugar: 0.250000.85000
gravies: 0.050000.50000
hard candy: 0.500002.50000
imitation dairy: 0.500002.50000
instant coffee / tea: 0.050000.25000
jams / jellies: 0.500001.50000
meat products: 0.050000.15000
milk products: 0.250000.85000
nut products: 0.050000.25000
other grains: 0.500002.50000
poultry: 0.050000.25000
processed fruits: 0.500002.50000
processed vegetables: 0.200002.00000
reconstituted vegetables: 0.050000.15000
seasonings / flavors: 0.050000.50000
snack foods: 0.050000.50000
soft candy: 0.500002.50000
soups: 0.250002.00000
sugar substitutes: 0.500001.50000
sweet sauces: 0.500001.50000
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):6090-09-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :93019
National Institute of Allergy and Infectious Diseases:Data
1-(4-methylcyclohex-3-en-1-yl)ethanone
Chemidplus:0006090091
 
References:
 1-(4-methylcyclohex-3-en-1-yl)ethanone
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):93019
Pubchem (sid):135051352
Flavornet:6090-09-1
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB33434
FooDB:FDB011472
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
 bay leaf
Search Trop Picture
 sandalwood
Search Trop Picture
 
Synonyms:
4-acetyl-1-methyl-1-cyclohexene
 ethanone, 1-(4-methyl-3-cyclohexen-1-yl)-
4-methyl-3-cyclohexen-1-yl methyl ketone
1-(4-methyl-3-cyclohexen-1-yl)-ethanone
1-(4-methyl-3-cyclohexen-1-yl)ethanone
1-methyl-4-acetyl-1-cyclohexene
1-(4-methylcyclohex-3-en-1-yl)ethanone
 
 
Notes:
Flavouring ingredient. Isol. from the famine food Santalum album (sandalwood)
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