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beta-cyclocitral
General Material Information
| Preferred name | beta-cyclocitral |
| Trivial Name | β-Cyclocitral |
| Short Description | 2,6,6-trimethyl-1&2-cyclohexen-1-carboxaldehyde |
| Formula | C10 H16 O |
| CAS Number | 432-25-7 |
| FEMA Number | 3639 |
| Flavis Number | 5.121 |
| ECHA Number | 207-081-3 |
| FDA UNII | 77Y0U2X29G |
| Nikkaji Number | J127.248I |
| MDL | MFCD00079078 |
| COE Number | 11849 |
| xLogP3-AA | 2.40 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 979 2,6,6-trimethyl-1&2-cyclohexen-1-carboxaldehyde |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 977045-71-8 ; 2,6,6-TRIMETHYL-1 AND 2-CYCLOHEXEN-1-CARBOXALDEHYDE |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| 2,6,6-trimethylcyclohexene-1-carbaldehyde | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 432-25-7 |
| Pubchem (cid): | 9895 |
| Pubchem (sid): | 134974161 |
| Flavornet: | 432-25-7 |
| 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): | C20425 |
| HMDB (The Human Metabolome Database): | HMDB41011 |
| FooDB: | FDB020874 |
| Export Tariff Code: | 2912.19.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
| Augustus Oils | BOC Sciences |
| Penta International | R C Treatt & Co Ltd |
| Santa Cruz Biotechnology | Sigma-Aldrich |
| Synerzine | Augustus Oils Ltd |
| Penta International Corporation | Taytonn ASCC |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 152.23672485352 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.905 to 7.963 |
| Refractive Index | 1.476 to 1.483 @ 20 °C |
| Boiling Point | 62 to 63°C @ 3 mm Hg |
| Boiling Point | 211 to 212°C @ 760 mm Hg |
| Vapor Pressure | 0.176 mmHg @ 25 °C |
| Flash Point TCC Value | 76.67 °C TCC |
| logP (o/w) | 3.1 est |
| Solubility | |
| alcohol | Yes |
| water, 86.14 mg/L @ 25 °C (est) | Yes |
Organoleptic Properties
| Odor Type: Tropical | |
| tropical, saffron, herbal, clean, rose, sweet, tobacco, green, fruity | |
| Odor strength | high , recommend smelling in a 10.00 % solution or less |
| Substantivity | 85 hour(s) at 100.00 % |
| Luebke, William tgsc, (2009) | At 10.00 % in dipropylene glycol. tropical saffron herbal clean rose oxide sweet tobacco damascone fruity |
| Flavor Type: Tropical | |
| tropical, saffron, herbal, tobacco, medicinal, phenolic, leathery, green | |
| Luebke, William tgsc, (2009) | Tropical saffron herbal tobacco medicinal phenolic leathery green |
Occurrences
| (data available) |
Potential Uses
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R 26/27/28 - Very toxic by inhalation, in contact with skin and if swallowed. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. 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. | |
| 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 beta-cyclocitral usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.37 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | ND (μg/capita/day) | ||
| Structure Class: | I | ||
| 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: 12 | |||
| Click here to view publication 12 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 0.06000 | |
| beverages(nonalcoholic): | - | 0.02000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 0.50000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 0.05000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | 0.10000 | |
| gelatins / puddings: | - | 0.05000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 0.10000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | 0.05000 | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | 0.05000 | |
| 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): |
| Scientific Opinion on Flavouring Group Evaluation 208 Revision 1 (FGE.208Rev1): Consideration of genotoxicity data on representatives for 10 alicyclic aldehydes with the a,ß-unsaturation in ring / side-chain and precursors from chemical subgroup 2.2 of View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 208 Revision 2 (FGE.208Rev2): Consideration of genotoxicity data on alicyclic aldehydes with a,ß-unsaturation in ring/side-chain and precursors from chemical subgroup 2.2 of FGE.19 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 208 Revision 3 (FGE.208Rev3): consideration of genotoxicity data on alicyclic aldehydes with a,ß-unsaturation in ring/side-chain and precursors from chemical subgroup 2.2 of FGE.19 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):432-25-7 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :9895 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 2,6,6-trimethylcyclohexene-1-carbaldehyde |
| Chemidplus:0000432257 |