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

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Name: 4-propan-2-ylcyclohex-2-en-1-one CAS Number: 500-02-7 3D/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, Edge 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 PubMed: Search NCBI: Search 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   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   Organoleptic Properties: Odor Type: spicy 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 RIFM Fragrance Material Safety Assessment: Search 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 ppm average maximum ppm baked goods: 0.15000 0.30000 beverages(nonalcoholic): 0.05000 0.10000 beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: 0.05000 0.10000 fruit ices: - - gelatins / puddings: 0.05000 0.10000 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: 0.10000 0.20000 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,ß-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   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 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   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 aglaia odorata absolute FR iso amyl salicylate FL/FR anise indene FR bigarade oxide FR cumin carbinol FR dihydrocarvyl acetate FL/FR ho leaf oil FR (Z)- jasmone FL/FR karo karounde absolute FR karo karounde absolute replacer FR lavandula angustifolia flower oil FL/FR lavender oil france FL/FR lilyall FR nonisyl propionate FR petitgrain bigarade oil FL/FR petitgrain oil replacer 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 pine oil 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 nepeta cataria herb oil FR pennyroyal oil FL/FR musk angelica root absolute FL/FR nutty pentanoic acid, 3-methyl-2-oxo-, ethyl ester FL/FR orris para-iso propyl acetophenone FL/FR spicy bayberry fragrance FR iso butyl angelate FL/FR cardamom seed oil CO2 extract 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 maja fragrance FR myrcene 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 (±)-1,2,5,6- tetrahydrocuminic acid FL/FR thujonic cedarleaf oil western red FR common tansy flower oil argentina FL/FR common tansy leaf oil dutch 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 delta- cadinene FL alpha- cadinol FL/FR (+)- camphene FL/FR trans- carveol FL/FR cis- carveol 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 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 coriander oleoresin 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 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 nutty pentanoic acid, 3-methyl-2-oxo-, ethyl ester FL/FR spicy cardamom seed oil CO2 extract FL/FR 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 cistus twig/leaf oil FL/FR (Z)- jasmone FL/FR alpha- pinene FL/FR spruce needle oil canada FL/FR   Potential Uses: FR costus FR herbal FR lavender FR mint FR pepper FR spice FR woody   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-iso propyl cyclohex-2-en-1-one 4-iso- propyl-2-cyclohexenone 4-iso propylcyclohex-2-en-1-one   Articles:   None found yet. 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Notes: None found