4-isopropyl-2-cyclohexenone
4-propan-2-ylcyclohex-2-en-1-one
 
Notes:
None found
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CAS Number: 500-02-7Picture of molecule3D/inchi
Other(deleted CASRN): 21293-23-2
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:
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JECFA Food Flavoring: 1110  4-isopropyl-2-cyclohexenone
DG SANTE Food Flavourings: 07.172  4-isopropylcyclohex-2-en-1-one
FEMA Number: 3939 4-isopropyl-2-cyclohexenone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):500-02-7 ; 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 mmHg @ 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
 
Odor and/or flavor descriptions from others (if found).
 
 
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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 CSA
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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
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
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
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
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 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: FDB014728
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
 angelica archangelica root oil CO2 extractFL/FR
animal
1-oxaspiro-4,7-dodecaneFR
balsamic
dextro,laevo-isoborneolFL/FR
isobornyl acetateFL/FR
isobornyl propionateFL/FR
 cedar forest fragranceFR
 conifer acetateFR
 hexyl cinnamateFR
camphoreous
dextro-camphorFL/FR
citrus
 neroli ketoneFR
earthy
2-octanoneFL/FR
floral
 aglaia odorata absoluteFR
isoamyl salicylateFL/FR
 anise indeneFR
 bigarade oxideFR
 cumin carbinolFR
 dihydrocarvyl acetateFL/FR
 ho leaf oilFR
(Z)-jasmoneFL/FR
 karo karounde absoluteFR
 karo karounde absolute replacerFR
 lavandula angustifolia flower oilFL/FR
 lavender oil franceFL/FR
 lilyallFR
 nonisyl propionateFR
 petitgrain bigarade oilFL/FR
 petitgrain oil replacerFR
 prenyl salicylateFL/FR
 sambucus nigra flower oil CO2 extractFR
5-tricyclodecenyl acetateFR
fruity
3-benzyl-4-heptanoneFL/FR
1,2-dimethyl butyl 2-butenoateFR
green
 cumin acetaldehydeFL/FR
isocyclocitral (IFF)FL/FR
 dicyclopentadiene propionateFR
3-hepten-2-oneFL/FR
alpha-hexyl cinnamaldehyde dimethyl acetalFR
para-methyl hydratropaldehydeFL/FR
hay
 tobacco leaf absoluteFL/FR
herbal
1-allyl-2,2,7,7-tetramethyl cycloheptanolFR
 anethum graveolens herb oilFL/FR
 angelica archangelica seed extractFL/FR
 artemisia vestita wall. leaf oilFR
 bornyl 2-methyl butyrateFL/FR
 bornyl butyrateFL/FR
beta-bourboneneFL/FR
delta-cadinene 
alpha-cadinolFL/FR
 calamintha clinopodium oilFR
 cardamom liquid resinFR
 carum carvi fruit oilFL/FR
 celery ketoneFL/FR
 celery undeceneFR
 coriander oleoresinFL/FR
2-cyclohexyl cyclohexanoneFR
 daucus carota fruit oilFL/FR
 dill seed oilFL/FR
 dill seed oil CO2 extractFL/FR
 dill seed oil indianFL/FR
 dimethyl cyclormol (IFF)FR
 herbal undecanoneFR
 immortelle flower oilFL/FR
 lavandin water absoluteFL/FR
2-methyl butyl salicylateFL/FR
 nonisyl acetateFR
curled parsley leaf oilFL/FR
 perillaldehydeFL/FR
 pine oilFR
alpha-pineneFL/FR
 pinocarveolFL/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
 nepeta cataria herb oilFR
 pennyroyal oilFL/FR
musk
 angelica root absoluteFL/FR
nutty
 pentanoic acid, 3-methyl-2-oxo-, ethyl esterFL/FR
orris
para-isopropyl acetophenoneFL/FR
spicy
 bayberry fragranceFR
isobutyl angelateFL/FR
 cardamom seed oil CO2 extractFL/FR
cis-carveolFL/FR
trans-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
 ginger oleoresin africaFL/FR
 ginger root absoluteFL/FR
 ginger root oil cochinFL/FR
 maja fragranceFR
 myrceneFR
2-octanolFL/FR
black pepper absoluteFL/FR
white pepper oilFL/FR
black pepper oilFL/FR
black pepper oleoresinFL/FR
(±)-1,2,5,6-tetrahydrocuminic acidFL/FR
thujonic
 cedarleaf oil western redFR
common tansy flower oil argentinaFL/FR
common tansy leaf oil dutchFR
 woody ketoneFL/FR
woody
 angelica archangelica root extractFL/FR
 angelica archangelica root tinctureFL/FR
 angelica archangelica root waterFL/FR
(R)-gamma-cadinene 
 cadineneFL/FR
 campheneFL/FR
(+)-campheneFL/FR
 cedarwood oil western redFR
 cistus twig/leaf oilFL/FR
 cypress essenceFR
 dalbergia sissoo leaf oilFR
 dihydro-alpha-terpinyl acetateFR
 fougere woody fragranceFR
(1R,4S)-1-hydroxy-1,4-dimethyl spiro(4.6)undecan-2-one 
 laitoneFR
 manevoro oilFR
 marine formateFR
 melaleuca bracteata leaf oilFR
gamma-muurolene 
 origanum vulgare ssp. vulgare oil himalaya 
 polylimoneneFL/FR
 santol pentenolFR
 spruce needle oil canadaFL/FR
 tetrahydromugolFR
 
For Flavor
 
No flavor group found for these
 angelica archangelica root extractFL/FR
 angelica archangelica root oil CO2 extractFL/FR
 angelica archangelica root tinctureFL/FR
 angelica archangelica root waterFL/FR
 bornyl 2-methyl butyrateFL/FR
 bornyl butyrateFL/FR
beta-bourboneneFL/FR
delta-cadinene 
(R)-gamma-cadinene 
alpha-cadinolFL/FR
(+)-campheneFL/FR
trans-carveolFL/FR
laevo-carveolFL/FR
cis-carveolFL/FR
(1R,4S)-1-hydroxy-1,4-dimethyl spiro(4.6)undecan-2-one 
2-methyl butyl salicylateFL/FR
1-methyl pyrroleFL
gamma-muurolene 
 origanum vulgare ssp. vulgare oil himalaya 
 polylimoneneFL/FR
(±)-1,2,5,6-tetrahydrocuminic acidFL/FR
 woody ketoneFL/FR
balsamic
isobornyl propionateFL/FR
camphoreous
dextro,laevo-isoborneolFL/FR
 campheneFL/FR
 pinocarveolFL/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
grassy
 tobacco leaf absoluteFL/FR
green
isoamyl salicylateFL/FR
isobutyl angelateFL/FR
 celery ketoneFL/FR
 cumin acetaldehydeFL/FR
isocyclocitral (IFF)FL/FR
para-methyl hydratropaldehydeFL/FR
herbal
 anethum graveolens herb oilFL/FR
 angelica archangelica seed extractFL/FR
 carum carvi fruit oilFL/FR
 coriander oleoresinFL/FR
 daucus carota fruit oilFL/FR
 dill seed oilFL/FR
 dill seed oil CO2 extractFL/FR
 immortelle flower oilFL/FR
 lavandin water absoluteFL/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
cis-carvone-5,6-oxideFL/FR
trans-para-menthan-2-oneFL/FR
 pennyroyal oilFL/FR
musk
 angelica root absoluteFL/FR
nutty
 pentanoic acid, 3-methyl-2-oxo-, ethyl esterFL/FR
spicy
 cardamom seed oil CO2 extractFL/FR
 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
 ginger oleoresin africaFL/FR
 ginger root absoluteFL/FR
 ginger root oil cochinFL/FR
2-octanolFL/FR
black pepper absoluteFL/FR
white pepper oilFL/FR
black pepper oilFL/FR
black pepper oleoresinFL/FR
 perillaldehydeFL/FR
para-isopropyl acetophenoneFL/FR
winter savory oilFL
tea
 tea leaf absoluteFL/FR
thujonic
common tansy flower oil argentinaFL/FR
woody
isobornyl acetateFL/FR
 cadineneFL/FR
 cistus twig/leaf oilFL/FR
(Z)-jasmoneFL/FR
alpha-pineneFL/FR
 spruce needle oil canadaFL/FR
 
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Potential Uses:
 costusFR
 herbalFR
 lavenderFR
 mintFR
 pepperFR
 spiceFR
 woodyFR
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Occurrence (nature, food, other): note
 cumin seed
Search Trop  Picture
 cymbopogon giganteus chiov. leaf oil @ 0.80%
Data  GC  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
 levisticum officinale flower oil @ 0.44%
Data  GC  Search Trop  Picture
 levisticum officinale seed oil @ 0.80%
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  PMC 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
Synonyms   Articles   Notes   Search   Top
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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