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4-propan-2-ylcyclohex-2-en-1-one
Notes:
None found
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Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
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| 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 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 | |
| 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 CSA |
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 | ||
| 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
Potential Uses:
| costus | FR | |
| herbal | FR | |
| lavender | FR | |
| mint | FR | |
| pepper | FR | |
| spice | FR | |
| woody | FR |
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 |