Articles:
| None found yet. Try the PubMed Search. |
cyclohex-2-en-1-one
Notes:
Flavouring compound [Flavornet]
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Penta International Corporation Chemistry innovation At Penta, our products and services help businesses do business better. For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes. US Email: Technical Services US Email: Sales US Voice: (973) 740-2300 US Fax: (973) 740-1839 Product(s): 03-80200 2-CYCLOHEXENONE
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TCI AMERICA Moving Your Chemistry Forward We continuously strive to advance our technology. With East & West Coast distribution centers, count on TCI to deliver products quickly and reliably. Over 30,000 Reagents available today in benchtop to bulk quantities. We also offer custom synthesis solutions. Sign up for a TCI account today for fast and free shipping! Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 70 years of synthesis experience and multi-purpose plants enable TCI to offer more than 30,000 products as well as custom synthesis. US Email: Sales Email: Technical Support Voice: 1-800-423-8616 Fax: 1- 888-520-1075 Facebook Twitter Instagram Linkedin Product(s): C0707 2-Cyclohexen-1-one >96.0%(GC)
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| CAS Number: | 930-68-7 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 213-223-5 | |
| FDA UNII: | 445160R1U6 | |
| Nikkaji Web: | J55.441C | |
| Beilstein Number: | 1280477 | |
| MDL: | MFCD00001577 | |
| XlogP3-AA: | 0.60 (est) | |
| Molecular Weight: | 96.12896000 | |
| Formula: | C6 H8 O | |
| BioActivity Summary: | listing | |
| 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: | 2052 2-cyclohexenone |
| FEMA Number: | 4517 2-cyclohexenone |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 930-68-7 ; 2-CYCLOHEXENONE |
Physical Properties:
| Appearance: | pale yellow to yellow clear liquid (est) |
| Assay: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.98800 to 0.99800 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 8.231 to 8.314 |
| Refractive Index: | 1.48500 to 1.49100 @ 20.00 °C. |
| Melting Point: | -53.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 170.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 100.00 to 101.00 °C. @ 1.00 mm Hg |
| Vapor Pressure: | 3.620000 mmHg @ 25.00 °C. |
| Vapor Density: | 3.3 ( Air = 1 ) |
| Flash Point: | 132.00 °F. TCC ( 55.56 °C. ) |
| logP (o/w): | 0.610 |
| Soluble in: | |
| alcohol | |
| water, 3.615e+004 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: roasted | |
| roasted savory green | |
| Odor Description: at 1.00 % in dipropylene glycol. | roasted savory green |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Parchem |
| 2-cyclohexenone |
| Penta International |
| 2-CYCLOHEXENONE |
| Seqens |
| 2-Cyclohexenone |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 2-Cyclohexen-1-one ≥95% |
| TCI AMERICA |
| For experimental / research use only. |
| 2-Cyclohexen-1-one >96.0%(GC) |
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| T - Toxic. | |
|
R 10 - Flammable. R 22 - Harmful if swallowed. R 23/24 - Toxic by inhalation and in contact with skin. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 23 - Do not breath vapour. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. S 45 - In case of accident or if you feel unwell seek medical advice immediately. | |
| 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: | |
|
oral-rat LD50 220 mg/kg American Industrial Hygiene Association Journal. Vol. 33, Pg. 338, 1972. intraperitoneal-mouse LD50 170 mg/kg Personal Communication from H. Zollner, Institut fur Biochemie, Der Universitat, Gras, Oct. 23, 1975Vol. 23OCT1975 | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 70 mg/kg American Industrial Hygiene Association Journal. Vol. 33, Pg. 338, 1972. | |
| Inhalation Toxicity: | |
|
inhalation-rat LC50 250 ppm/4H American Industrial Hygiene Association Journal. Vol. 33, Pg. 338, 1972. | |
Safety in Use Information:
| Category: | flavoring agents | ||
| Recommendation for 2-cyclohexenone usage levels up to: | |||
| not for fragrance use. | |||
| 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: 24 | |||
| Click here to view publication 24 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | 5.00000 | 25.00000 | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 1.00000 | 5.00000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 10.00000 | 50.00000 | |
| snack foods: | 1.00000 | 5.00000 | |
| soft candy: | - | - | |
| soups: | 1.00000 | 5.00000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 930-68-7 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 13594 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 2929 |
| WGK Germany: | 3 |
| cyclohex-2-en-1-one | |
| Chemidplus: | 0000930687 |
References:
| cyclohex-2-en-1-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 13594 |
| Pubchem (sid): | 134981100 |
| Flavornet: | 930-68-7 |
| 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 |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C02395 |
| HMDB (The Human Metabolome Database): | Search |
| FooDB: | FDB029645 |
| Export Tariff Code: | 2914.29.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FAO: | 2-Cyclohexenone |
Potential Blenders and core components note
| For Odor | ||
| For Flavor | ||
| garlic | ||
| garlic oleoresin | FL | |
| meaty | ||
| pyrazinyl ethane thiol | FL | |
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| found in nature |
Synonyms:
| cyclohex-2-en-1-one | |
| cyclohex-2-enone | |
| 2- | cyclohexane-1-one |
| 2- | cyclohexen-1-one |
| cyclohexen-2-one | |
| 1- | cyclohexen-3-one |
| 3-oxo | cyclohexene |