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4-isopropyl-2-cyclohexenone
4-propan-2-ylcyclohex-2-en-1-one

Sponsors

Name:4-propan-2-ylcyclohex-2-en-1-one
CAS Number: 500-02-7Picture of molecule3D/inchi
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
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: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:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: ISOPROPYL-2-CYCLOHEXENONE
 
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
 
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).
 
Cosmetic Information:
None found
 
Suppliers:
Parchem
4-isopropyl-2-cyclohexenone
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 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
 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: --
 
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
 
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
 
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
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
amber
angelica archangelica root oil CO2 extract
FL/FR
animal
1-oxa
spiro-4,7-dodecane
FR
balsamic
dextro,laevo-iso
borneol
FL/FR
iso
bornyl acetate
FL/FR
iso
bornyl propionate
FL/FR
cedar forest fragrance
FR
conifer acetate
FR
hexyl cinnamate
FR
camphoreous
dextro-
camphor
FL/FR
citrus
neroli ketone
FR
earthy
2-
octanone
FL/FR
floral
iso
amyl salicylate
FL/FR
anise indene
FR
bigarade oxide
FR
cumin carbinol
FR
dihydrocarvyl acetate
FL/FR
(Z)-
jasmone
FL/FR
karo karounde absolute
FR
lavandula angustifolia flower oil
FL/FR
lavender oil france
FL/FR
lilyall
FR
nonisyl propionate
FR
petitgrain bigarade oil
FL/FR
prenyl salicylate
FL/FR
sambucus nigra flower oil CO2 extract
FR
5-
tricyclodecenyl acetate
FR
fruity
3-
benzyl-4-heptanone
FL/FR
1,2-
dimethyl butyl 2-butenoate
FR
green
cumin acetaldehyde
FL/FR
iso
cyclocitral (IFF)
FL/FR
dicyclopentadiene propionate
FR
3-
hepten-2-one
FL/FR
alpha-
hexyl cinnamaldehyde dimethyl acetal
FR
para-
methyl hydratropaldehyde
FL/FR
hay
tobacco leaf absolute
FL/FR
herbal
1-
allyl-2,2,7,7-tetramethyl cycloheptanol
FR
anethum graveolens herb oil
FL/FR
angelica archangelica seed extract
FL/FR
artemisia vestita wall. leaf oil
FR
bornyl 2-methyl butyrate
FL/FR
bornyl butyrate
FL/FR
beta-
bourbonene
FL/FR
alpha-
cadinol
FL/FR
calamintha clinopodium oil
FR
cardamom liquid resin
FR
carum carvi fruit oil
FL/FR
celery ketone
FL/FR
celery undecene
FR
coriander oleoresin
FL/FR
2-
cyclohexyl cyclohexanone
FR
daucus carota fruit oil
FL/FR
dill seed oil
FL/FR
dill seed oil CO2 extract
FL/FR
dill seed oil indian
FL/FR
dimethyl cyclormol (IFF)
FR
herbal undecanone
FR
immortelle flower oil
FL/FR
lavandin water absolute
FL/FR
2-
methyl butyl salicylate
FL/FR
nonisyl acetate
FR
curled
parsley leaf oil
FL/FR
perillaldehyde
FL/FR
alpha-
pinene
FL/FR
pinocarveol
FL/FR
tea leaf absolute
FL/FR
thyme oil wild or creeping
FL/FR
tricyclodecenyl propionate
FR
medicinal
summer
savory oil
FL/FR
minty
laevo-
carveol
FL/FR
dextro-
carvone
FL/FR
cis-
carvone-5,6-oxide
FL/FR
trans-para-
menthan-2-one
FL/FR
pennyroyal oil
FL/FR
musk
angelica root absolute
FL/FR
orris
para-iso
propyl acetophenone
FL/FR
spicy
bayberry fragrance
FR
iso
butyl angelate
FL/FR
trans-
carveol
FL/FR
cis-
carveol
FL/FR
cinnamon acrolein
FL/FR
(E)-
cinnamyl nitrile
FR
cumin seed absolute
FL/FR
cumin seed oil
FL/FR
cuminaldehyde
FL/FR
cuminyl alcohol
FL/FR
cuminyl nitrile
FR
black
currant bud absolute
FL/FR
ginger oleoresin africa
FL/FR
ginger root absolute
FL/FR
ginger root oil cochin
FL/FR
myrcene
FR
2-
octanol
FL/FR
black
pepper absolute
FL/FR
white
pepper oil
FL/FR
black
pepper oil
FL/FR
black
pepper oleoresin
FL/FR
(±)-1,2,5,6-
tetrahydrocuminic acid
FL/FR
thujonic
cedarleaf oil western red
FR
common
tansy flower oil argentina
FL/FR
woody ketone
FL/FR
woody
angelica archangelica root extract
FL/FR
angelica archangelica root tincture
FL/FR
angelica archangelica root water
FL/FR
cadinene
FL/FR
camphene
FL/FR
(+)-
camphene
FL/FR
cedarwood oil western red
FR
cistus twig/leaf oil
FL/FR
cypress essence
FR
dalbergia sissoo leaf oil
FR
dihydro-alpha-terpinyl acetate
FR
fougere woody fragrance
FR
laitone
FR
manevoro oil
FR
marine formate
FR
melaleuca bracteata leaf oil
FR
polylimonene
FL/FR
santol pentenol
FR
spruce needle oil canada
FL/FR
tetrahydromugol
FR
For Flavor
No flavor group found for these
angelica archangelica root extract
FL/FR
angelica archangelica root oil CO2 extract
FL/FR
angelica archangelica root tincture
FL/FR
angelica archangelica root water
FL/FR
bornyl 2-methyl butyrate
FL/FR
bornyl butyrate
FL/FR
beta-
bourbonene
FL/FR
alpha-
cadinol
FL/FR
(+)-
camphene
FL/FR
trans-
carveol
FL/FR
cis-
carveol
FL/FR
laevo-
carveol
FL/FR
cistus twig/leaf oil
FL/FR
2-
methyl butyl salicylate
FL/FR
1-
methyl pyrrole
FL
polylimonene
FL/FR
(±)-1,2,5,6-
tetrahydrocuminic acid
FL/FR
woody ketone
FL/FR
balsamic
balsamic
iso
bornyl propionate
FL/FR
camphoreous
dextro,laevo-iso
borneol
FL/FR
camphene
FL/FR
pinocarveol
FL/FR
citrus
petitgrain bigarade oil
FL/FR
creamy
3-
hepten-2-one
FL/FR
dairy
2-
octanone
FL/FR
floral
dihydrocarvyl acetate
FL/FR
fruity
3-
benzyl-4-heptanone
FL/FR
grassy
tobacco leaf absolute
FL/FR
green
iso
amyl salicylate
FL/FR
iso
butyl angelate
FL/FR
celery ketone
FL/FR
coriander oleoresin
FL/FR
cumin acetaldehyde
FL/FR
iso
cyclocitral (IFF)
FL/FR
para-
methyl hydratropaldehyde
FL/FR
herbal
anethum graveolens herb oil
FL/FR
angelica archangelica seed extract
FL/FR
carum carvi fruit oil
FL/FR
daucus carota fruit oil
FL/FR
dill seed oil
FL/FR
dill seed oil CO2 extract
FL/FR
immortelle flower oil
FL/FR
lavandin water absolute
FL/FR
lavandula angustifolia flower oil
FL/FR
lavender oil france
FL/FR
curled
parsley leaf oil
FL/FR
prenyl salicylate
FL/FR
thyme oil wild or creeping
FL/FR
medicinal
dextro-
camphor
FL/FR
summer
savory oil
FL/FR
minty
dextro-
carvone
FL/FR
cis-
carvone-5,6-oxide
FL/FR
trans-para-
menthan-2-one
FL/FR
pennyroyal oil
FL/FR
musk
angelica root absolute
FL/FR
spicy
cinnamon acrolein
FL/FR
cumin oleoresin
FL
cumin seed absolute
FL/FR
cumin seed oil
FL/FR
cuminaldehyde
FL/FR
cuminyl alcohol
FL/FR
black
currant bud absolute
FL/FR
dill seed oil indian
FL/FR
ginger oleoresin africa
FL/FR
ginger root absolute
FL/FR
ginger root oil cochin
FL/FR
2-
octanol
FL/FR
black
pepper absolute
FL/FR
black
pepper oil
FL/FR
white
pepper oil
FL/FR
black
pepper oleoresin
FL/FR
perillaldehyde
FL/FR
para-iso
propyl acetophenone
FL/FR
winter
savory oil
FL
tea
tea leaf absolute
FL/FR
thujonic
common
tansy flower oil argentina
FL/FR
woody
iso
bornyl acetate
FL/FR
cadinene
FL/FR
(Z)-
jasmone
FL/FR
alpha-
pinene
FL/FR
spruce needle oil canada
FL/FR
 
Potential Uses:
FRcostus
FRherbal
FRlavender
FRmint
FRpepper
FRspice
FRwoody
 
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:
 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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