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cistus cyclohexanone

Chemical Structure

General Material Information

Preferred name cistus cyclohexanone
Trivial Name 2,2,6-Trimethylcyclohexanone
Short Description 2,2,6-trimethylcyclohexanone
Formula C9 H16 O
CAS Number 2408-37-9
Deleted CAS Number 62861-88-5
FEMA Number 3473
Flavis Number 7.045
ECHA Number 219-309-9
FDA UNII CQ3ZL1YW7R
Beilstein Number 1905593
MDL MFCD00045550
COE Number 686
xLogP3-AA 2.40 (est)
NMR Predictor External link
JECFA Food Flavoring 1108 2,2,6-trimethylcyclohexanone
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 2408-37-9 ; 2,2,6-TRIMETHYLCYCLOHEXANONE
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
  • 2,2,6-trimethylcyclohexan-1-one
  • 2,2,6-Trimethylcyclohexanone
  • 1,1,3-Trimethyl-2-cyclohexanone
  • 2,6,6-Trimethylcyclohexanone
  • NSC 401659

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 140.2257232666
Specific gravity @ 25 °C
Pounds per Gallon 7.489 to 7.547
Refractive Index 1.443 to 1.449 @ 20 °C
Boiling Point 178 to 179°C @ 760 mm Hg
Vapor Pressure 0.986 mmHg @ 25 °C
Flash Point TCC Value 51.67 °C TCC
logP (o/w) 2.41
Solubility
alcohol Yes
water, 724.3 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Thujonic
pungent, thujonic, labdanum, honey, cistus
General comment At 10.00 % in dipropylene glycol. pungent thujone labdanum honey cistus

Occurrences

Potential Uses

Applications
Odor purposes Amber, Cedar, Honey, Labdanum, Moss, Woody

Safety Information

Safety information

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
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: --

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
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