2,6,6-trimethyl-2-hydroxycyclohexanone
cyclohexanone, 2-hydroxy-2,6,6-trimethyl-
 
Notes:
Constit. of the aroma of black tea
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2-hydroxy-2,6,6-trimethylcyclohexan-1-one (Click)
CAS Number: 7500-42-7Picture of molecule
FDA UNII: MH0UUM21K0
Nikkaji Web: J439.304J
XlogP3-AA: 1.30 (est)
Molecular Weight: 156.22492000
Formula: C9 H16 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Google Patents: Search
US Patents: Search
EU Patents: Search
IBM Patents: Obtain
Pubchem Patents: Search
JECFA Food Flavoring: 2054  2,6,6-trimethyl-2-hydroxycyclohexanone
FEMA Number: 4531  2,6,6-trimethyl-2-hydroxycyclohexanone
FDA Mainterm: 2,6,6-TRIMETHYL-2-HYDROXYCYCLOHEXANONE
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.98800 to 0.99400 @  20.00 °C.
Pounds per Gallon - (est).: 8.231 to  8.281
Refractive Index: 1.46600 to 1.47200 @  20.00 °C.
Boiling Point: 232.00 to  233.00 °C. @ 760.00 mm Hg
Boiling Point: 58.00 to  65.00 °C. @ 4.00 mm Hg
Vapor Pressure: 0.011000 mm/Hg @ 25.00 °C. (est)
Flash Point: 202.00 °F. TCC ( 94.44 °C. )
logP (o/w): 0.924 (est)
Soluble in:
 alcohol
 water, 6304 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: tobacco
Odor Strength: medium
 sweet  tobacco  herbal  
Odor Description:
at 100.00 %. 
sweet tobacco herbal
  
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Cosmetic Information:
None found
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Suppliers:
Axsyn
For experimental / research use only.
Cyclohexanone, 2-hydroxy-2,6,6-trimethyl-
Parchem
2,6,6-trimethyl-2-hydroxycyclohexanone
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
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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: flavor and fragrance agents
 
Structure Class: II
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: 24
Click here to view publication 24
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 0.010000.10000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: 0.010000.10000
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: 1.000005.00000
jams / jellies: --
meat products: --
milk products: 1.0000010.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 101115
National Institute of Allergy and Infectious Diseases: Data
 2-hydroxy-2,6,6-trimethylcyclohexan-1-one
Chemidplus: 0007500427
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References:
 2-hydroxy-2,6,6-trimethylcyclohexan-1-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 101115
Pubchem (sid): 135059892
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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
FDA Everything Added to Food in the United States (EAFUS): View
HMDB (The Human Metabolome Database): HMDB37023
FooDB: FDB016003
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
FAO: 2,6,6-Trimethyl-2-hydroxycyclohexanone
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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
 endive
Search Trop  Picture
 tea black tea
Search  Picture
 tea green tea
Search  Picture
 tea oolong tea
Search  Picture
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Synonyms:
 cyclohexanone, 2-hydroxy-2,6,6-trimethyl-
2-hydroxy-2,6,6-trimethyl cyclohexan-1-one
2-hydroxy-2,6,6-trimethyl cyclohexanone
2-hydroxy-2,6,6-trimethylcyclohexan-1-one
2-hydroxy-2,6,6-trimethylcyclohexanone
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Articles:
 None found yet.
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