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allyl cyclohexanehexanoate
Notes:
Flavouring ingredient
| CAS Number: | 7493-66-5 |  3D/inchi
|
| FDA UNII: | SPW8K04M0V | |
| Nikkaji Web: | J1.536.426B | |
| CoE Number: | 2180 | |
| XlogP3-AA: | 5.40 (est) | |
| Molecular Weight: | 238.37062000 | |
| Formula: | C15 H26 O2 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
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: | 16 allyl cyclohexane hexanoate |
| DG SANTE Food Flavourings: | 09.492 allyl cyclohexanehexanoate |
| FEMA Number: | 2025 allyl cyclohexanehexanoate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 7493-66-5 ; ALLYL CYCLOHEXANEHEXANOATE |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. | |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.94100 to 0.84700 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.830 to 7.048 |
| Refractive Index: | 1.46200 @ 20.00 °C. |
| Boiling Point: | 128.00 °C. @ 1.50 mm Hg |
| Vapor Pressure: | 0.000380 mmHg @ 25.00 °C. (est) |
| Flash Point: | 277.00 °F. TCC ( 136.11 °C. ) |
| logP (o/w): | 5.609 (est) |
| Soluble in: | |
| alcohol | |
| oils | |
| water, 0.23 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: fatty | |
| fatty fruity | |
| Odor Description: at 100.00 %. | fatty fruity |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Parchem |
| Allyl Cyclohexyl Hexanoate |
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 | |||
| IFRA Purity Specification: | < 0.1% free allyl alcohol | ||
| Recommendation for allyl cyclohexyl hexanoate usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.01 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | <0.01 (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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 8.50000 | |
| beverages(nonalcoholic): | - | 1.40000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 3.30000 | |
| fruit ices: | - | 3.30000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 8.00000 | |
| 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: | - | - | |
| 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): | |
| EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF) View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 200, Revision 1 (FGE.200 Rev.1): 74 a,ß-unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.1 of FGE.19 View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 61406 |
| National Institute of Allergy and Infectious Diseases: | Data |
| prop-2-enyl 6-cyclohexylhexanoate | |
| Chemidplus: | 0007493665 |
References:
| prop-2-enyl 6-cyclohexylhexanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 7493-66-5 |
| Pubchem (cid): | 61406 |
| Pubchem (sid): | 135018888 |
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): | HMDB37195 |
| FooDB: | FDB016197 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| brandy | FL | |
| grape | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| allyl 6-cyclohexane hexanoate | |
| allyl 6-cyclohexanehexanoate | |
| allyl cyclohexane caproate | |
| allyl cyclohexane hexanoate | |
| allyl cyclohexanecaproate | |
| allyl cyclohexanehexanoate | |
| allyl cyclohexyl caproate | |
| allyl cyclohexylhexanoate | |
| allyl hexahydrophenyl hexanoate | |
| cyclohexane hexanoic acid 2-propenyl ester | |
| cyclohexane hexanoic acid allyl ester | |
| cyclohexanehexanoic acid, 2-propenyl ester | |
| cyclohexanehexanoic acid, allyl ester | |
| prop-2-enyl 6-cyclohexyl hexanoate | |
| prop-2-enyl 6-cyclohexylhexanoate | |
| 2- | propen-1-yl cyclohexane caproate |
| 2- | propen-1-yl cyclohexanecaproate |
| 2- | propenyl cyclohexane hexanoate |
| 2- | propenyl cyclohexanehexanoate |