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

5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one

Supplier Sponsors

Name:5-ethyl-2,3,4,5-tetramethylcyclohex-2-en-1-one
CAS Number: 17369-60-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:241-403-3
FDA UNII:9MM11393HF
Nikkaji Web:J287.027D
CoE Number:168
XlogP3-AA:2.90 (est)
Molecular Weight:180.29060000
Formula:C12 H20 O
NMR Predictor:Predict (works with chrome or firefox)
Also(can) Contains:5-ethyl-3,4,5,6-tetramethyl cyclohexen-2-one
EFSA/JECFA Comments:
Mixture of of 5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one and 5-ethyl-3,4,5,6-tetramethyl-2-cyclohexen-1-one. The predominant constituent is 5-ethyl-3,4,5,6-tetramethyl-2-cyclohexen-1-one. Mixture of diastereoisomers in approximately equal ratios (EFFA, 2012b).
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
JECFA Food Flavoring:1111 tetramethylethylcyclohexenone (mixture of isomers)
FLAVIS Number:07.035 (Old)
DG SANTE Food Flavourings:07.035 tetramethylethylcyclohexenone (mixture of isomers)
FEMA Number:3061 tetramethylethylcyclohexenone (mixture of isomers)
FDA:No longer provide for the use of these seven synthetic flavoring substances
 
Physical Properties:
Appearance:colorless to pale yellow clear oily liquid (est)
Assay: 97.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.92700 to 0.93400 @ 25.00 °C.
Pounds per Gallon - (est).: 7.714 to 7.772
Refractive Index:1.48500 to 1.49000 @ 20.00 °C.
Boiling Point: 113.00 to 115.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.028000 mm/Hg @ 25.00 °C. (est)
Flash Point: 224.00 °F. TCC ( 106.67 °C. )
logP (o/w): 2.981 (est)
Soluble in:
 alcohol
 water, slightly
 water, 18.21 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: caramellic
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
caramellic fruity spicy
Odor Description:at 10.00 % in propylene glycol. caramel fruity spicy
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
5-ethyl-2,3,4,5-tetramethylcyclohex-2-en-1-one 95%
Lluch Essence
TETRAMETHYL ETHYL CYCLOHEXENONE
Odor: FRESH, HERBACEOUS, HONEY
Parchem
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for 5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one usage levels up to:
  2.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 7.80 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.20 (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: 3
 average usual ppmaverage maximum ppm
baked goods: -30.00000
beverages(nonalcoholic): -5.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -30.00000
fruit ices: -30.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -30.00000
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 212: alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.6 of FGE.19
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 212 Revision 1 (FGE.212Rev1): alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.6 of FGE.19.
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

Scientific Opinion on Flavouring Group Evaluation 212 Revision 3 (FGE.212Rev3): a,-unsaturated alicyclic ketones and precursors from chemical subgroup 2.6 of FGE.19
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
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :86558
National Institute of Allergy and Infectious Diseases:Data
5-ethyl-2,3,4,5-tetramethylcyclohex-2-en-1-one
Chemidplus:0017369607
 
References:
 5-ethyl-2,3,4,5-tetramethylcyclohex-2-en-1-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):86558
Pubchem (sid):135044447
 
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
HMDB (The Human Metabolome Database):Search
ChemSpider:View
 
Potential Blenders and core components note
For Odor
acidic
cyclohexyl acetic acid
FL/FR
anisic
ethyl para-anisate
FL/FR
3-
pentyl bicyclo[3.2.1]-6-octen-2-one
FR
balsamic
2-
acetyl furan
FL/FR
butyl cinnamate
FL/FR
ethyl cinnamate
FL/FR
tolu balsam oil
FL/FR
tolu balsam oil replacer
FR
buttery
acetoin
FL/FR
acetyl propionyl
FL/FR
iso
butyl lactate
FL/FR
3,4-
hexane dione
FL/FR
caramellic
2-oxo
butyric acid
FL/FR
caramel pentadione
FL/FR
cyclotene
FL/FR
cyclotene hydrate
FL/FR
alpha,alpha-
dimethyl anisyl acetone
FL/FR
ethyl 2-hydroxy-2-methyl butyrate
FL/FR
ethyl cyclopentenolone
FL/FR
ethyl maltol
FL/FR
fenugreek absolute
FL/FR
geranyl crotonate
FR
immortelle absolute
FL/FR
levulinic acid
FL/FR
maltol
FL/FR
maltyl propionate
FL/FR
maple furanone
FL/FR
menthone lactone
FL/FR
mesitene lactone
FR
5-
methyl furfural
FL/FR
rosefuran
FL/FR
shoyu furanone
FL/FR
strawberry furanone
FL/FR
strawberry furanone acetate
FL/FR
toffee furanone
FL/FR
cheesy
2-
heptanone
FL/FR
coconut
gamma-
heptalactone
FL/FR
tetrahydrojasmone
FR
coumarinic
tonka bean resinoid
FR
creamy
butyl lactate
FL/FR
gamma-
butyrolactone
FL/FR
earthy
pinus sylvestris leaf absolute
FL/FR
ethereal
ethyl 4-pentenoate
FL/FR
ethyl pyruvate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
fatty
(Z)-
dairy lactone
FL/FR
ethyl undecylenate
FL/FR
fermented
ethyl (E)-2-crotonate
FL/FR
floral
benzyl formate
FL/FR
cherry blossom fragrance
FR
pink
frangipani absolute
FR
2-
hexylidene cyclopentanone
FL/FR
rhodinyl isobutyrate
FL/FR
rose carboxylate
FR
souroubea specialty
FR
ylang ylang flower oil III
FL/FR
fruity
para-
anisyl methyl ketone
FL/FR
apple cider fragrance
FR
candy
apple fragrance
FR
baked
apple fragrance
FR
gamma-
decalactone
FL/FR
1,4-
diethyl-6,8-dioxabicyclo(3.2.1)octane
FR
(E)-
ethyl tiglate
FL/FR
myrtle oil replacer
FR
strawberry furanone butyrate
FL/FR
tetrahydrofurfuryl acetate
FL/FR
xanthoxylum fruit oil
FR
green
iso
amyl 3-(2-furan) propionate
FL/FR
octanal diethyl acetal
FL/FR
thuja occidentalis leaf absolute
FR
herbal
butyl levulinate
FL/FR
wild
carrot seed oil CO2 extract
FL/FR
dimethyl benzyl carbinyl crotonate
FL/FR
lavender absolute bulgaria
FL/FR
myrtle oil
FL/FR
myrtle oil morocco
FL/FR
nonisyl acetate
FR
honey
methyl phenyl acetate
FL/FR
musty
3-
acetyl-2,5-dimethyl furan
FL/FR
nutty
2-
acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR
2,3-
dimethyl pyrazine
FL/FR
nutty cyclohexenone
FL/FR
phenolic
4-
methyl-2,6-dimethoxyphenol
FL/FR
spicy
alpha-
amyl cinnamyl alcohol
FL/FR
apple cinnamon fragrance
FR
bubble gum fragrance
FR
cinnamyl propionate
FL/FR
2,5-
dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate + 1,4-dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate
FR
eugenyl isovalerate
FL/FR
(E)-
propyl 2-furan acrylate
FL/FR
(E)-
tiglic acid
FL/FR
sweet
vanilla oleoresin bali
FL/FR
vanilla oleoresin bourbon
FL/FR
tonka
tonka bean absolute
FR
vanilla
ethyl vanillin
FL/FR
ethyl vanillin propylene glycol acetal
FL/FR
vanillyl isobutyrate
FL/FR
vegetable
tetrahydrofurfuryl alcohol
FL/FR
waxy
ethyl palmitate
FL/FR
woody
beta-
caryophyllene alcohol acetate
FL/FR
kaempferia galanga rhizome oil
FL/FR
spicy pentanone
FL/FR
symroxane (Symrise)
FR
vetiver oil fractions
FR
For Flavor
No flavor group found for these
4-
acetyl-2,5-dimethyl-3(2H)-furanone
FL
2-
acetyl-3,4,5,6-tetrahydropyridine
FL
allyl 2-furoate
FL
benzyl disulfide
FL
benzyl methyl tiglate
FL
butyl cinnamate
FL/FR
beta-
caryophyllene alcohol acetate
FL/FR
2,5-
diethyl tetrahydrofuran
FL
alpha,alpha-
dimethyl anisyl acetone
FL/FR
dimethyl benzyl carbinyl crotonate
FL/FR
ethyl 2-hydroxy-2-methyl butyrate
FL/FR
ethyl 4-pentenoate
FL/FR
eugenyl isovalerate
FL/FR
furfuryl acetone
FL
2-
hexylidene cyclopentanone
FL/FR
menthone lactone
FL/FR
myrtle oil morocco
FL/FR
pinus sylvestris leaf absolute
FL/FR
rosefuran
FL/FR
strawberry furanone ethyl ether
FL
iso
amyl 3-(2-furan) propionate
FL/FR
hexyl 3-mercaptobutanoate
FL
acidic
acidic
levulinic acid
FL/FR
anise
ethyl para-anisate
FL/FR
balsamic
ethyl cinnamate
FL/FR
tolu balsam oil
FL/FR
bready
mango furanone
FL
brown
2-oxo
butyric acid
FL/FR
5-
methyl furfural
FL/FR
tetrahydrofurfuryl acetate
FL/FR
(E)-
tiglic acid
FL/FR
burnt
furfuryl alcohol
FL
buttery
iso
butyl lactate
FL/FR
diacetyl
FL
3,4-
hexane dione
FL/FR
camphoreous
kaempferia galanga rhizome oil
FL/FR
caramellic
caramel furanone
FL
caramel pentadione
FL/FR
cyclotene
FL/FR
cyclotene hydrate
FL/FR
ethyl maltol
FL/FR
5-
ethyl-3,4,5,6-tetramethyl cyclohexen-2-one
FL
fenugreek absolute
FL/FR
maltol
FL/FR
maltyl propionate
FL/FR
maple furanone
FL/FR
3-
methyl butyl 2-furyl butyrate
FL
shoyu furanone
FL/FR
strawberry furanone
FL/FR
strawberry furanone acetate
FL/FR
toffee furanone
FL/FR
cheesy
2-
heptanone
FL/FR
coffee
2-
thiophene thiol
FL
creamy
acetoin
FL/FR
2,4-
heptadienal
FL
dairy
butyl lactate
FL/FR
fatty
(Z)-
dairy lactone
FL/FR
ethyl undecylenate
FL/FR
2,4-
undecadienal
FL
(E,E)-2,4-
undecadienal
FL
floral
cinnamyl propionate
FL/FR
methyl phenyl acetate
FL/FR
rhodinyl isobutyrate
FL/FR
ylang ylang flower oil III
FL/FR
fruity
acetyl isovaleryl
FL
benzyl formate
FL/FR
gamma-
decalactone
FL/FR
(E)-
ethyl tiglate
FL/FR
furfuryl valerate
FL
2-
pentanoyl furan
FL
(E)-
propyl 2-furan acrylate
FL/FR
spicy pentanone
FL/FR
strawberry furanone butyrate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
green
2-
furyl acetone
FL
immortelle absolute
FL/FR
octanal diethyl acetal
FL/FR
herbal
butyl levulinate
FL/FR
wild
carrot seed oil CO2 extract
FL/FR
5-
hydroxymethyl furfural
FL
lavender absolute bulgaria
FL/FR
jammy
ethyl cyclopentenolone
FL/FR
lactonic
gamma-
heptalactone
FL/FR
milky
gamma-
butyrolactone
FL/FR
musty
ethyl (E)-2-crotonate
FL/FR
nutty
2-
acetyl furan
FL/FR
3-
acetyl-2,5-dimethyl furan
FL/FR
2-
acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR
2,3-
dimethyl pyrazine
FL/FR
nutty cyclohexenone
FL/FR
peanut oxazole
FL
tetrahydrofurfuryl alcohol
FL/FR
phenolic
4-
methyl-2,6-dimethoxyphenol
FL/FR
rummy
ethyl pyruvate
FL/FR
spicy
alpha-
amyl cinnamyl alcohol
FL/FR
para-
anisyl methyl ketone
FL/FR
myrtle oil
FL/FR
sweet
caramel dione
FL
cyclohexyl acetic acid
FL/FR
vanilla oleoresin bali
FL/FR
vanilla oleoresin bourbon
FL/FR
toasted
acetyl propionyl
FL/FR
vanilla
ethyl vanillin
FL/FR
ethyl vanillin propylene glycol acetal
FL/FR
vanillyl isobutyrate
FL/FR
waxy
ethyl palmitate
FL/FR
furfuryl octanoate
FL
 
Potential Uses:
FLcaramel
FRspice
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
5-ethyl-2,3,4,5-tetramethyl cyclohexen-1-one
5-ethyl-2,3,4,5-tetramethylcyclohex-2-en-1-one
 

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