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

cistus cyclohexanone
2,2,6-trimethylcyclohexanone

Sponsors

Name:2,2,6-trimethylcyclohexan-1-one
CAS Number: 2408-37-9Picture of molecule3D/inchi
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
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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
FLAVIS Number:07.045 (Old)
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: 2,2,6-TRIMETHYLCYCLOHEXANONE
 
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
 
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
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
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, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
2,2,6-Trimethylcyclohexanone
Synerzine
2,2,6-Trimethylcyclohexanone
 
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
 
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
 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: --
 
Safety References:
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
 
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
 
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
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
amber
ambrein
FR
ambroxan
FL/FR
labdanum oil
FL/FR
balsamic
amyl cinnamate
FL/FR
balsam ketone
FR
iso
butyl cinnamate
FL/FR
linalyl cinnamate
FL/FR
black
poplar bud oleoresin
FL/FR
fruity
cyclohexyl crotonate
FR
herbal
chamomile oil morocco
FR
woody
atlas
cedarwood oil
FR
copaiba balsam
FL/FR
labdanum ethanone
FR
patchouli oil
FL/FR
sclareolide
FL/FR
sclareolide
FL/FR
For Flavor
No flavor group found for these
black
poplar bud oleoresin
FL/FR
amber
amber
labdanum oil
FL/FR
balsamic
amyl cinnamate
FL/FR
iso
butyl cinnamate
FL/FR
fruity
linalyl cinnamate
FL/FR
woody
ambroxan
FL/FR
copaiba balsam
FL/FR
patchouli oil
FL/FR
sclareolide
FL/FR
sclareolide
FL/FR
 
Potential Uses:
FRamber
FRcedar
FRhoney
FRlabdanum
FRmoss
FRwoody
 
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
 
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
 
 
Notes:
Blends well with amber and thujone notes.
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