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allyl cyclohexyl propionate
General Material Information
| Preferred name | allyl cyclohexyl propionate |
| Trivial Name | Allyl cyclohexanepropionate |
| Short Description | allyl cyclohexanepropionate |
| Formula | C12 H20 O2 |
| CAS Number | 2705-87-5 |
| FEMA Number | 2026 |
| ECHA Number | 220-292-5 |
| FDA UNII | H4W9H3L241 |
| Nikkaji Number | J3.039B |
| Beilstein Number | 2254663 |
| MDL | MFCD00059557 |
| COE Number | 2223 |
| xLogP3-AA | 3.80 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 13 allyl cyclohexane propionate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 2705-87-5 ; ALLYL CYCLOHEXANEPROPIONATE |
| 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 |
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): | C12306 |
| HMDB (The Human Metabolome Database): | HMDB40206 |
| FooDB: | FDB019918 |
| Export Tariff Code: | 2916.20.5000 |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 196.28979492188 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.863 to 7.905 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 7.881 to 7.947 |
| Refractive Index | 1.457 to 1.462 @ 20 °C |
| Boiling Point | 264 to 265°C @ 760 mm Hg |
| Acid Value | 5 max KOH/g |
| Vapor Pressure | 0.009 mmHg @ 25 °C |
| Flash Point TCC Value | 91 °C TCC |
| logP (o/w) | 4.081 est |
| Shelf life | 24 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Solubility | |
| essential oils | Yes |
| ethyl alcohol, 1:4 in 80% alcohol | Yes |
| water, 6.949 mg/L @ 25 °C (est) | Yes |
| water | No |
| glycerin | No |
| Stability | |
| detergent | Unspecified |
| moderate in soap and detergent | Unspecified |
| soap | Unspecified |
Organoleptic Properties
| Odor Type: Fruity | |
| sweet, pineapple, tropical, fruity, candy, waxy, apple, green | |
| Odor strength | medium |
| Substantivity | 251 hour(s) at 100.00 % |
| Luebke, William tgsc, (1985) | At 100.00 %. sweet pineapple tropical fruity candy waxy |
| Mosciano, Gerard P&F 15, No. 3, 51, (1990) | Sweet, fruity, pineapple, waxy, apple and green |
| Flavor Type: Fruity | |
| fruity, pineapple, waxy, green, sweet, apple | |
| Mosciano, Gerard P&F 15, No. 3, 51, (1990) | At 30.00 ppm. Fruity, pineapple, waxy, with green sweet apple nuances |
| Useful in: fruity yellow, fruity tropical, fruity others. | Estery, green, fruity, pineapple |
Potential Uses
| Applications | |
| Odor purposes | Apple , Apple red apple , Apricot , Bouquet , Bramble arctic bramble blackberry , Bubble gum , Chamomile , Christmas , Chypre , Coconut tropical coconut , Fig , Fruit , Fruit juicy fruit , Green , Herbal , Honeysuckle , Jasmin , Lavender , Lilac , Mango , Melon , Papaya , Passion fruit , Pina colada , Pineapple , Plum mirabelle plum , Pomegranate , Quince , Raspberry , Rose , Spice , Strawberry , Valerian |
| Flavoring purposes | Cloudberry bakeapple , Fruit punch , Fruit tropical fruit , Plum greengage plum , Tomato , Tropical , Valerian |
| Other purposes | Fruit jam |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 22 - Harmful if swallowed. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. 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) | |
| Acute toxicity, Oral (Category 4), H302 Acute toxicity, Inhalation (Category 4), H332 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H302 - Harmful if swallowed H312 - Harmful in contact with skin H332 - Harmful if inhaled | |
| Precautionary statement(s) | |
| P261 - Avoid breathing dust/fume/gas/mist/vapours/spray. P264 - Wash skin thouroughly after handling. P270 - Do not eat, drink or smoke when using this product. P271 - Use only outdoors or in a well-ventilated area. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302 + P352 - IF ON SKIN: wash with plenty of soap and water. P304 + P340 - IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P312 - Call a POISON CENTER or doctor/physician if you feel unwell. P322 - Specific measures (see supplemental first aid instructions on this label). P330 - Rinse mouth. P363 - Wash contaminated clothing before reuse. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Human Experience: | |
| 4 % solution: non-sensitising. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 585 mg/kg SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. oral-guinea pig LD50 380 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS BLOOD: HEMORRHAGE Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. | |
| 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 | |||
| IFRA Purity Specification: | |||
| Recommendation for allyl cyclohexyl propionate usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 96.57 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 110.00 (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: | - | 7.10000 | |
| beverages(nonalcoholic): | - | 3.70000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 30.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 0.20000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 3.10000 | |
| fruit ices: | - | 3.10000 | |
| gelatins / puddings: | - | 7.70000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 13.00000 | |
| 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: | - | 0.20000 | |
| 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 Substance Registry Services (TSCA):2705-87-5 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :17617 |
| National Institute of Allergy and Infectious Diseases:Data |
| SCCNFP:opinion |
| WGK Germany:2 |
| prop-2-enyl 3-cyclohexylpropanoate |
| Chemidplus:0002705875 |
| RTECS:GV6735000 for cas# 2705-87-5 |