cistus cyclohexanone
2,2,6-trimethylcyclohexanone
 
Notes:
Blends well with amber and thujone notes.
  • CTC Organics
    • CTC Organics
      For More Than 40 Year
      Your source for rare aroma chemicals for the flavor and fragrance industy.
      “The world is run by middle men.” The number of times I have heard Dr. Liu utter those words are innumerable. He loved reciting and recording famous quotes and had many of his own. Among his many talents, Dr. Liu had a unique genius in the area of chemistry. He had an uncanny understanding of the pulse of the chemical industry and was a superb salesman.
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      Product(s):
      W218 2,2,6-trimethylcyclohexanone
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
      US Email: Technical Services
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      Product(s):
      20-79700 2,2,6-TRIMETHYLCYCLOHEXANONE, Kosher
       
Synonyms   Articles   Notes   Search
2,2,6-trimethylcyclohexan-1-one (Click)
CAS Number: 2408-37-9Picture of molecule
ECHA EINECS - REACH Pre-Reg: 219-309-9
FDA UNII: CQ3ZL1YW7R
Beilstein Number: 1905593
MDL: MFCD00045550
CoE Number: 686
XlogP3-AA: 2.40 (est)
Molecular Weight: 140.22572000
Formula: C9 H16 O
NMR Predictor: Predict (works with chrome or firefox)
Also(can) Contains: (R)-cistus cyclohexanone
 (S)-cistus cyclohexanone
EFSA/JECFA Comments: Stereoisomeric composition to be specified. Racemate (EFFA, 2010a).
Category: flavor and fragrance 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
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
IBM Patents: Obtain
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 1108  2,2,6-trimethylcyclohexanone
Flavis Number: 07.045 (Old)
DG SANTE Food Flavourings: 07.045  2,2,6-trimethylcyclohexanone
FEMA Number: 3473  2,2,6-trimethylcyclohexanone
FDA Mainterm: 2,2,6-TRIMETHYLCYCLOHEXANONE
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 99.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.90000 to 0.90700 @  25.00 °C.
Pounds per Gallon - (est).: 7.489 to  7.547
Refractive Index: 1.44300 to 1.44900 @  20.00 °C.
Melting Point: -31.80 °C. @ 760.00 mm Hg
Boiling Point: 178.00 to  179.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.986000 mm/Hg @ 25.00 °C. (est)
Flash Point: 125.00 °F. TCC ( 51.67 °C. )
logP (o/w): 2.410
Soluble in:
 alcohol
 water, 724.3 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: thujonic
Odor Strength: high ,
recommend smelling in a 10.00 % solution or less
 pungent  thujonic  labdanum  honey  cistus  
Odor Description:
at 10.00 % in dipropylene glycol. 
pungent thujone labdanum honey cistus
  
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Cosmetic Information:
None found
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Suppliers:
Carbosynth
For experimental / research use only.
2,2,6-Trimethyl-1-Cyclohexanone
CFC Scientific
2,2,6-trimethylcyclohexanone,98 %
CTC Organics
2,2,6-trimethylcyclohexanone
Penta International
2,2,6-TRIMETHYLCYCLOHEXANONE, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
2,2,6-Trimethylcyclohexanone
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Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
S 36 - Wear suitable protective clothing.
 
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
Recommendation for cistus cyclohexanone usage levels up to:
  0.1000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 2.10 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.04 (μg/capita/day)
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: 9
Click here to view publication 9
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: -3.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -3.00000
fruit ices: -3.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
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:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of alicyclic substances used as flavor ingredients.View pdf
European Food Safety Athority(efsa): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Flavouring Group Evaluation 51, (FGE.51)[1] - Consideration of alicyclic ketones and secondary alcohols and related esters evaluated by JECFA (59th meeting) and structurally related to alicyclic ketones, secondary alcohols and related esters evaluated by EFSA in FGE.09 (2004) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf
Flavouring Group Evaluation 9, Revision 1: (FGE.09 Rev1)[1] - Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical groups 8 and 30, and an ester of a phenol carboxylic acid from chemical group 25 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf
Flavouring Group Evaluation 9, Revision 2 (FGE.09Rev2): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 51, Revision 1 (FGE.51Rev1): Consideration of alicyclic ketones and secondary alcohols and related esters evaluated by the JECFA (59th meeting) structurally related to alicyclic ketones secondary alcohols and related esters in FGE.09Rev3 (2011)
View page or View pdf
Flavouring Group Evaluation 51, Revision 2 (FGE.51Rev2): Consideration of alicyclic ketones and secondary alcohols and related esters evaluated by JECFA (59th meeting) structurally related to alicyclic ketones secondary alcohols and related esters in FGE.09Rev6 (2015)
View page or View pdf
EPI System: View
Env. Mutagen Info. Center: Search
EPA Substance Registry Services (TSCA): 2408-37-9
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 17000
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 1224
WGK Germany: 3
 2,2,6-trimethylcyclohexan-1-one
Chemidplus: 0002408379
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References:
 2,2,6-trimethylcyclohexan-1-one
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 2408-37-9
Pubchem (cid): 17000
Pubchem (sid): 134982558
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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): Search
FooDB: FDB012038
Export Tariff Code: 2914.29.5000
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
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Potential Blenders and core components note
 
For Odor
amber
 ambreinFR
 ambroxanFL/FR
 labdanum oilFL/FR
balsamic
 amyl cinnamateFL/FR
 balsam ketoneFR
isobutyl cinnamateFL/FR
 linalyl cinnamateFL/FR
black poplar bud oleoresinFL/FR
fruity
 cyclohexyl crotonateFR
herbal
 chamomile oil moroccoFR
pine
 plectranthus glandulosus hook f. leaf oil cameroon 
thujonic
 cistus cyclohexanoneFL/FR
woody
atlas cedarwood oilFR
 copaiba balsamFL/FR
 labdanum ethanoneFR
 patchouli oilFL/FR
 sclareolideFL/FR
 
For Flavor
 
No flavor group found for these
 cistus cyclohexanoneFL/FR
 linalyl cinnamateFL/FR
 plectranthus glandulosus hook f. leaf oil cameroon 
black poplar bud oleoresinFL/FR
amber
 labdanum oilFL/FR
balsamic
isobutyl cinnamateFL/FR
fruity
 amyl cinnamateFL/FR
woody
 ambroxanFL/FR
 copaiba balsamFL/FR
 patchouli oilFL/FR
 sclareolideFL/FR
 
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Potential Uses:
 amberFR
 cedarleafFL/FR
 honey mielFR
 labdanumFL/FR
 oakmoss mousse de chene mossFR
 woodyFR
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Occurrence (nature, food, other): note
 apricot fruit
Search Trop  Picture
 bilberry fruit
Search Trop  Picture
 cassie absolute @ 0.07%
Data  GC  Search Trop  Picture
 cistus ladaniferus
Search Trop  Picture
 cistus oil @ 1.3%
Data  GC  Search Trop  Picture
 labdanum leaf oil @ 0.90%
Data  GC  Search Trop  Picture
 labdanum oil @ 0.75%
Data  GC  Search Trop  Picture
 oat seed
Search Trop  Picture
 passion fruit juice
Search Trop  Picture
 plumcot fruit
Search  Picture
 tea black tea
Search  Picture
 tea green tea
Search  Picture
 tea rooibos tea
Search  Picture
 wine white wine
Search  Picture
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Synonyms:
 cyclohexanone, 2,2,6-trimethyl-
2,2,6-trimethyl cyclohexan-1-one
2,2,6-trimethyl cyclohexanone
1,1,3-trimethyl-2-cyclohexanone
2,2,6-trimethylcyclohexan-1-one
2,6,6-trimethylcyclohexan-1-one
2,2,6-trimethylcyclohexanone
2,6,6-trimethylcyclohexanone
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