cistus cyclohexanone
2,2,6-trimethylcyclohexanone
 
Notes:
Blends well with amber and thujone notes.
  • BOC Sciences
    • BOC Sciences
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      Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds.
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      Product(s):
      2408-37-9 2,6,6-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.
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      Product(s):
      20-79700 2,2,6-TRIMETHYLCYCLOHEXANONE
       
  • Synerzine
    • Synerzine, Inc.
      Innovation. Customization. Aroma Ingredients.
      Synerzine is a leading supplier of flavor and fragrance ingredients.
      Synerzine expresses what we have grown to embody as an organization - the synergy and connection between raw ingredients, science, technology, and the final product. Our experienced team is passionate about bringing our customers high-quality innovative ingredients that they can trust.
      Building upon our 44 year history, the Synerzine team provides customers around the globe with convenient access to over 1200 high-quality aroma ingredients. We actively engage with customers to add a wide array of new products and services on a regular basis. Our aim is to delight every customer with our exceptional services, large product selection, customization and the highest quality and safety standards. We provide our customers with true value designed to help them bring their products to market faster.
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      Product(s):
      W218 2,2,6-Trimethylcyclohexanone
       
Synonyms   Articles   Notes   Search
CAS Number: 2408-37-9Picture of molecule3D/inchi
Other(deleted CASRN): 62861-88-5
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
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 1108  2,2,6-trimethylcyclohexanone
DG SANTE Food Flavourings: 07.045  2,2,6-trimethylcyclohexanone
FEMA Number: 3473 2,2,6-trimethylcyclohexanone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):2408-37-9 ; 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 mmHg @ 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
 
 pungent  thujonic  labdanum  honey  cistus  
Odor Description:
at 10.00 % in dipropylene glycol. 
pungent thujone labdanum honey cistus
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
2,6,6-Trimethylcyclohexanone
Carbosynth
For experimental / research use only.
2,2,6-Trimethyl-1-Cyclohexanone
CFC Scientific
2,2,6-trimethylcyclohexanone,98 %
Penta International
2,2,6-TRIMETHYLCYCLOHEXANONE
Santa Cruz Biotechnology
For experimental / research use only.
2,2,6-Trimethylcyclohexanone
Synerzine
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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
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
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: 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 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): Search
FooDB: FDB012038
Export Tariff Code: 2914.29.5000
Typical G.C.
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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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 cameroonFR
woody
atlas cedarwood oilFR
 copaiba balsamFL/FR
 labdanum ethanoneFR
 patchouli oilFL/FR
 sclareolideFL/FR
 
For Flavor
 
No flavor group found for these
black poplar bud oleoresinFL/FR
amber
 labdanum oilFL/FR
balsamic
 amyl cinnamateFL/FR
isobutyl cinnamateFL/FR
fruity
 linalyl cinnamateFL/FR
woody
 ambroxanFL/FR
 copaiba balsamFL/FR
 patchouli oilFL/FR
 sclareolideFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 amberFR
 cedarFR
 honeyFR
 labdanumFR
 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  PMC Picture
 tea black tea
Search Trop  Picture
 tea green tea
Search Trop  Picture
 tea rooibos tea
Search Trop  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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