4-isopropyl-2-cyclohexenone
4-propan-2-ylcyclohex-2-en-1-one
 
Notes:
None found
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4-propan-2-ylcyclohex-2-en-1-one (Click)
CAS Number: 500-02-7Picture of molecule
ECHA EINECS - REACH Pre-Reg: 207-898-5
FDA UNII: 0U8E4W4GBB
Nikkaji Web: J11.669F
CoE Number: 11127
XlogP3-AA: 2.00 (est)
Molecular Weight: 138.20978000
Formula: C9 H14 O
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: Racemate (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
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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: 1110  4-isopropyl-2-cyclohexenone
Flavis Number: 07.172 (Old)
DG SANTE Food Flavourings: 07.172  4-isopropylcyclohex-2-en-1-one
FEMA Number: 3939  4-isopropyl-2-cyclohexenone
FDA Mainterm: ISOPROPYL-2-CYCLOHEXENONE
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.93000 to 0.95000 @  25.00 °C.
Pounds per Gallon - (est).: 7.739 to  7.905
Refractive Index: 1.48100 to 1.49000 @  20.00 °C.
Boiling Point: 198.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.213000 mm/Hg @ 25.00 °C. (est)
Flash Point: 189.00 °F. TCC ( 87.22 °C. )
logP (o/w): 1.589 (est)
Soluble in:
 alcohol
 water, 593.4 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: spicy
Odor Strength: medium
 spicy  cumin  caraway  woody  herbal  
Odor Description:
at 100.00 %. 
spice cumin caraway woody herbal
  
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Cosmetic Information:
None found
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Suppliers:
Parchem
4-isopropyl-2-cyclohexenone
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
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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
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Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for 4-isopropyl-2-cyclohexenone usage levels up to:
  1.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.001 (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: 19
Click here to view publication 19
 average usual ppmaverage maximum ppm
baked goods: 0.150000.30000
beverages(nonalcoholic): 0.050000.10000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.050000.10000
fruit ices: --
gelatins / puddings: 0.050000.10000
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: 0.100000.20000
soups: --
sugar substitutes: --
sweet sauces: --
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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 Substance Registry Services (TSCA): 500-02-7
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 92780
National Institute of Allergy and Infectious Diseases: Data
 4-propan-2-ylcyclohex-2-en-1-one
Chemidplus: 0000500027
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References:
 4-propan-2-ylcyclohex-2-en-1-one
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 500-02-7
Pubchem (cid): 92780
Pubchem (sid): 135049773
Pherobase: View
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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: FDB014728
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
balsamic
dextro,laevo-isoborneolFL/FR
isobornyl acetateFL/FR
 hexyl cinnamateFR
camphoreous
dextro-camphorFL/FR
earthy
2-octanoneFL/FR
floral
isoamyl salicylateFL/FR
 anise indeneFR
 cumin carbinolFR
 dihydrocarvyl acetateFL/FR
(Z)-jasmoneFL/FR
 karo karounde absoluteFR
 lavandula angustifolia flower oilFL/FR
 lavender oil franceFL/FR
 lilyallFR
 nonisyl propionateFR
 petitgrain bigarade oilFL/FR
 prenyl salicylateFL/FR
fruity
3-benzyl-4-heptanoneFL/FR
green
 cumin acetaldehydeFL/FR
isocyclocitral (IFF)FL/FR
3-hepten-2-oneFL/FR
para-methyl hydratropaldehydeFL/FR
herbal
 anethum graveolens herb oilFL/FR
 bornyl butyrateFL/FR
beta-bourboneneFL/FR
delta-cadinene 
alpha-cadinolFL/FR
 carum carvi fruit oilFL/FR
 celery ketoneFL/FR
 celery undeceneFR
 coriander oleoresinFL/FR
2-cyclohexyl cyclohexanoneFR
 daucus carota fruit oilFL/FR
 dill seed oil indianFL/FR
 dimethyl cyclormol (IFF)FR
 herbal undecanoneFR
 immortelle flower oilFL/FR
 nonisyl acetateFR
curled parsley leaf oilFL/FR
 perillaldehydeFL/FR
 tea leaf absoluteFL/FR
 thyme oil wild or creepingFL/FR
 tricyclodecenyl propionateFR
medicinal
summer savory oilFL/FR
minty
laevo-carveolFL/FR
dextro-carvoneFL/FR
cis-carvone-5,6-oxideFL/FR
trans-para-menthan-2-oneFL/FR
 pennyroyal oilFL/FR
spicy
isobutyl angelateFL/FR
trans-carveolFL/FR
cis-carveolFL/FR
 cinnamon acroleinFL/FR
(E)-cinnamyl nitrileFR
 cumin seed absoluteFL/FR
 cumin seed oilFL/FR
 cuminaldehydeFL/FR
 cuminyl alcoholFL/FR
 cuminyl nitrileFR
black currant bud absoluteFL/FR
(±)-1,2,5,6-tetrahydrocuminic acidFL/FR
thujonic
common tansy flower oil argentinaFL/FR
common tansy leaf oil dutch 
 woody ketoneFL/FR
woody
(R)-gamma-cadinene 
 campheneFL/FR
(+)-campheneFL/FR
 cistus twig/leaf oilFL/FR
 marine formateFR
gamma-muurolene 
 origanum vulgare ssp. vulgare oil himalaya 
 polylimoneneFL/FR
 spruce needle oil canadaFL/FR
 
For Flavor
 
No flavor group found for these
dextro,laevo-isoborneolFL/FR
 bornyl butyrateFL/FR
beta-bourboneneFL/FR
(R)-gamma-cadinene 
delta-cadinene 
alpha-cadinolFL/FR
(+)-campheneFL/FR
trans-carveolFL/FR
cis-carveolFL/FR
laevo-carveolFL/FR
cis-carvone-5,6-oxideFL/FR
 celery ketoneFL/FR
 cistus twig/leaf oilFL/FR
 cumin acetaldehydeFL/FR
isocyclocitral (IFF)FL/FR
1-methyl pyrroleFL
gamma-muurolene 
 origanum vulgare ssp. vulgare oil himalaya 
 polylimoneneFL/FR
common tansy leaf oil dutch 
 tea leaf absoluteFL/FR
(±)-1,2,5,6-tetrahydrocuminic acidFL/FR
 woody ketoneFL/FR
camphoreous
 campheneFL/FR
citrus
 petitgrain bigarade oilFL/FR
creamy
3-hepten-2-oneFL/FR
dairy
2-octanoneFL/FR
floral
 dihydrocarvyl acetateFL/FR
fruity
3-benzyl-4-heptanoneFL/FR
green
isoamyl salicylateFL/FR
isobutyl angelateFL/FR
 coriander oleoresinFL/FR
para-methyl hydratropaldehydeFL/FR
herbal
 anethum graveolens herb oilFL/FR
 carum carvi fruit oilFL/FR
 daucus carota fruit oilFL/FR
 immortelle flower oilFL/FR
 lavandula angustifolia flower oilFL/FR
 lavender oil franceFL/FR
curled parsley leaf oilFL/FR
 prenyl salicylateFL/FR
 thyme oil wild or creepingFL/FR
medicinal
dextro-camphorFL/FR
summer savory oilFL/FR
minty
dextro-carvoneFL/FR
trans-para-menthan-2-oneFL/FR
 pennyroyal oilFL/FR
spicy
 cinnamon acroleinFL/FR
 cumin oleoresinFL
 cumin seed absoluteFL/FR
 cumin seed oilFL/FR
 cuminaldehydeFL/FR
 cuminyl alcoholFL/FR
black currant bud absoluteFL/FR
 dill seed oil indianFL/FR
 perillaldehydeFL/FR
winter savory oilFL
thujonic
common tansy flower oil argentinaFL/FR
woody
isobornyl acetateFL/FR
(Z)-jasmoneFL/FR
 spruce needle oil canadaFL/FR
 
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Potential Uses:
 costusFL
 herbalFR
 lavenderFR
 mintFR
 pepper 
 spiceFR
 woodyFR
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Occurrence (nature, food, other): note
 cumin seed
Search Trop  Picture
 eucalyptus camaldulensis dehn. leaf oil jerusalem @ 6.90%
Data  GC  Search Trop  Picture
 eucalyptus camaldulensis dehnh. leaf oil ethiopia @ 15.50%
Data  GC  Search Trop  Picture
 eucalyptus deaneti maiden leaf oil ethiopia @ 17.60%
Data  GC  Search Trop  Picture
 eucalyptus globulus bud oil @ 0.11%
Data  GC  Search Trop  Picture
 eucalyptus globulus fruit oil @ 0.13%
Data  GC  Search Trop  Picture
 eucalyptus globulus oil pakistan @ 8.60%
Data  GC  Search Trop  Picture
 eucalyptus saligna smith leaf oil ethiopia @ 4.10%
Data  GC  Search Trop  Picture
 hyssop shoot
Search Trop  Picture
 laurel leaf oil turkey @ trace%
Data  GC  Search Trop  Picture
 lavandin oil abrialis @ 0.05%
Data  GC  Search Trop  Picture
 lavandin water (lavandula hydrida) @ 0.10%
Data  GC  Search Trop  Picture
 lavender
Search Trop  Picture
 lavender oil spike france @ 0.07%
Data  GC  Search Trop  Picture
 mikania cordata (burm. f.) b.l. robinson var. cordata leaf oil france @ 0.10%
Data  GC  Search Trop  Picture
 parsley leaf
Search Trop  Picture
 pepper
Search  Picture
 pepper black pepper fruit
Search Trop  Picture
 pepper black pepper fruit oil
Search Trop  Picture
 pepper black pepper oil
Search Trop  Picture
 peppermint leaf
Search Trop  Picture
 prangos uechtritzii boiss. et hausskn. fruit oil turkey @ 0.60%
Data  GC  Search Trop  Picture
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Synonyms:
 cryptone
2-cyclohexen-1-one, 4-(1-methylethyl)-
2-cyclohexen-1-one, 4-isopropyl-
dextro,laevo-kryptone
DL-kryptone
4-(1-methyl ethyl)-2-cyclohexen-1-one
4-(1-methyl ethyl)-4-isopropyl cyclohex-2-enone-2-cyclohexenone
4-(1-methylethyl)-2-cyclohexen-1-one
4-(1-methylethyl)-4-isopropylcyclohex-2-enone-2-cyclohexenone
4-(propan-2-yl)cyclohex-2-en-1-one
4-propan-2-ylcyclohex-2-en-1-one
4-isopropyl cyclohex-2-en-1-one
4-iso-propyl-2-cyclohexenone
4-isopropylcyclohex-2-en-1-one
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Articles:
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