Articles:
| None found yet. Try the PubMed Search. |
1,4-dimethyl-4-acetyl-1-cyclohexene
Notes:
Occurs in juniper oil. Flavouring ingredient
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| CAS Number: | 43219-68-7 |  3D/inchi
|
| Other(deleted CASRN): | 51733-67-6 | |
| ECHA EINECS - REACH Pre-Reg: | 256-150-4 | |
| FDA UNII: | US73ACJ84D | |
| Nikkaji Web: | J89.508C | |
| CoE Number: | 11062 | |
| XlogP3-AA: | 1.70 (est) | |
| Molecular Weight: | 152.23672000 | |
| Formula: | C10 H16 O | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavoring 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: | 402 1,4-dimethyl-4-acetyl-1-cyclohexene |
| FEMA Number: | 3449 1,4-dimethyl-4-acetyl-1-cyclohexene |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 43219-68-7 ; 1,4-DIMETHYL-4-ACETYL-1-CYCLOHEXENE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.93000 to 0.93600 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.739 to 7.788 |
| Refractive Index: | 1.46800 to 1.47300 @ 20.00 °C. |
| Boiling Point: | 208.00 to 211.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.253000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 163.00 °F. TCC ( 72.78 °C. ) |
| logP (o/w): | 2.558 (est) |
| Soluble in: | |
| alcohol | |
| water, 289.5 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Description: at 100.00 %. | fruity |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Axsyn |
| For experimental / research use only. |
| Ethanone,1-(1,4-dimethyl-3-cyclohexen-1-yl)- |
| BOC Sciences |
| For experimental / research use only. |
| 1-(1,4-Dimethylcyclohex-3-en-1-. yl)ethan-1-one |
| Parchem |
| 4-acetyl-1,4-dimethyl-1-cyclohexene |
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: | flavoring agents | ||
| Recommendation for 4-acetyl-1,4-dimethyl-1-cyclohexene usage levels up to: | |||
| not for fragrance use. | |||
| 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: 9 | |||
| Click here to view publication 9 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 3.00000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 2.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 2.00000 | |
| fruit ices: | - | 2.00000 | |
| gelatins / puddings: | - | 2.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | 2.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety References:
| Flavor & Extract Manufacturers Association (FEMA) reference(s): | |
| The FEMA GRAS assessment of alicyclic substances used as flavor ingredients. View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 43219-68-7 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 65289 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 1-(1,4-dimethyl-1-cyclohex-3-enyl)ethanone | |
| Chemidplus: | 0043219687 |
References:
| 1-(1,4-dimethyl-1-cyclohex-3-enyl)ethanone | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 43219-68-7 |
| Pubchem (cid): | 65289 |
| Pubchem (sid): | 135021696 |
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): | HMDB37024 |
| FooDB: | FDB016004 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| hyssopus officinalis oil CO2 extract @ 0.1% Data GC Search Trop Picture | |
| juniper oil Search Trop Picture |
Synonyms:
| 1-(1,4- | dimethyl cyclohex-3-en-1-yl) ethan-1-one |
| 1,4- | dimethyl cyclohex-3-enyl methyl ketone |
| 1-(1,4- | dimethyl-1-cyclohex-3-enyl) ethanone |
| 1-(1,4- | dimethyl-1-cyclohex-3-enyl)ethanone |
| 1-(1,4- | dimethyl-3-cyclohexen-1-yl) ethanone |
| 1-(1,4- | dimethyl-3-cyclohexen-1-yl)ethanone |
| 1,4- | dimethyl-3-cyclohexenyl methyl ketone |
| 1,4- | dimethyl-4-acetyl-1-cyclohexene |
| 1,4- | dimethyl-4-acetylcyclohexene |
| 1,4- | dimethyl-d-3-tetrahydroacetophenone |
| 1,4- | dimethyl-delta.-3-tetrahydroacetophenone |
| 1-(1,4- | dimethylcyclohex-3-en-1-yl)ethan-1-one |
| 1-(1,4- | dimethylcyclohex-3-en-1-yl)ethanone |
| 1,4- | dimethylcyclohex-3-enyl methyl ketone |
| ethanone, 1-(1,4-dimethyl-3-cyclohexen-1-yl)- | |
| ketone, 1-(1,4-dimethyl-3-cyclohexen-1-yl) methyl |