Articles:
| None found yet. Try the PubMed Search. |
Notes:
It imparts an original vibrant top note to fruity, chypre, green and lavender compositions and is used in all types of perfumery.
Pineapple flavourant
| Fragrance Demo Formulas | ||
| Name: | prop-2-enyl 3-cyclohexylpropanoate | |
| CAS Number: | 2705-87-5 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 220-292-5 | |
| FDA UNII: | H4W9H3L241 | |
| Nikkaji Web: | J3.039B | |
| Beilstein Number: | 2254663 | |
| MDL: | MFCD00059557 | |
| FEMA Number: | 2026 | |
| CoE Number: | 2223 | |
| XlogP3-AA: | 3.80 (est) | |
| Molecular Weight: | 196.28980000 | |
| Formula: | C12 H20 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: | 13 allyl cyclohexane propionate |
| Flavis Number: | 09.498 (Old) |
| DG SANTE Food Flavourings: | 09.498 allyl cyclohexanepropionate |
| FEMA Number: | 2026 allyl cyclohexanepropionate |
| FDA Mainterm: | ALLYL CYCLOHEXANEPROPIONATE |
| 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 to pale yellow clear liquid (est) |
| Assay: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | Yes |
| Specific Gravity: | 0.94500 to 0.95300 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.863 to 7.930 |
| Specific Gravity: | 0.94600 to 0.95400 @ 20.00 °C. |
| Pounds per Gallon - est.: | 7.881 to 7.947 |
| Refractive Index: | 1.45800 to 1.46300 @ 20.00 °C. |
| Boiling Point: | 91.00 °C. @ 1.00 mm Hg |
| Boiling Point: | 264.00 to 265.00 °C. @ 760.00 mm Hg |
| Acid Value: | 5.00 max. KOH/g |
| Vapor Pressure: | 0.009000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 196.00 °F. TCC ( 91.00 °C. ) |
| logP (o/w): | 4.080 (est) |
| Shelf Life: | 24.00 month(s) or longer if stored properly. |
| Storage: | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in: | |
| essential oils | |
| ethyl alcohol, 1:4 in 80% alcohol | |
| water, 6.949 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| glycerin | |
| Stability: | |
| detergent | |
| moderate in soap and detergent | |
| soap | |
Organoleptic Properties:
| Odor Type: | fruity |
| Odor Strength: | medium |
| Odor Description: at 100.00 %. | sweet pineapple tropical fruity candy waxy |
| Substantivity: | 251 hour(s) at 100.00 % |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Safety 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. | |
| 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 | ||
| IFRA Purity Specification: | < 0.1% free allyl alcohol | ||
| 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:
| Flavor & Extract Manufacturers Association (FEMA) reference(s): | |
| The FEMA GRAS assessment of alicyclic substances used as flavor ingredients.View pdf | |
| 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 |
| Env. Mutagen Info. Center: | 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 |
References:
| prop-2-enyl 3-cyclohexylpropanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 2705-87-5 |
| Pubchem (cid): | 17617 |
| Pubchem (sid): | 134983855 |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2009 |
| (IUPAC): | Atomic Weights of the Elements 2009 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Everything Added to Food in the United States (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 |
Potential Blenders and core components note
Potential Uses:
| apple | FR | |
| apple red apple | FR | |
| apricot | FR | |
| bouquet | FR | |
| bramble arctic bramble blackberry | FR | |
| bubble gum | FR | |
| chamomile | FR | |
| christmas | FR | |
| chypre | FR | |
| cloudberry bakeapple | FL | |
| coconut tropical coconut | FR | |
| fig | FR | |
| fruit | FR | |
| fruit jam | ||
| fruit juicy fruit | FR | |
| fruit punch | FL | |
| fruit tropical fruit | FL | |
| green | FR | |
| herbal | FR | |
| honeysuckle | FR | |
| jasmin | FR | |
| lavender | FR | |
| lilac | FR | |
| mango | FR | |
| melon | FR | |
| papaya | FR | |
| passion fruit | FR | |
| pina colada | FR | |
| pineapple | FR | |
| plum greengage plum | FL | |
| plum mirabelle plum | FR | |
| pomegranate | FR | |
| quince | FR | |
| raspberry | FR | |
| rose | FR | |
| spice | FR | |
| strawberry | FR | |
| tomato | FL | |
| tropical | FL | |
| valerian | FL/FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| allyl 3-cyclohexyl propionate | |
| allyl 3-cyclohexylpropanoate | |
| allyl 3-cyclohexylpropionate | |
| allyl beta-cyclohexyl propionate | |
| allyl beta-cyclohexylpropionate | |
| allyl cyclo hexyl propionate | |
| allyl cyclohexane propionate | |
| allyl cyclohexanepropionate | |
| 3- | allyl cyclohexanol propionate |
| allyl cyclohexyl propanoate | |
| 3- | allyl cyclohexyl propionate |
| allyl cyclohexyl propionate FCC | |
| allyl cyclohexylpropionate | |
| allyl cyclohexylpropionate FCC | |
| allyl hexahydrophenyl propionate | |
| allyl hexahydrophenylpropionate | |
| cyclohexane propanoic acid 2-propenyl ester | |
| cyclohexane propionic acid allyl ester | |
| cyclohexanepropanoic acid 2-propenyl ester | |
| cyclohexanepropanoic acid, 2-propen-1-yl ester | |
| cyclohexanepropanoic acid, 2-propenyl ester | |
| cyclohexanepropionic acid, allyl ester | |
| pineapple ester,allyl cyclohexylpropionate | |
| prop-2-en-1-yl 3-cyclohexylpropanoate | |
| prop-2-enyl 3-cyclohexylpropanoate | |
| 2- | propen-1-yl cyclohexane propionate |
| 2- | propen-1-yl cyclohexanepropionate |
| 2- | propenyl 3-cyclohexyl propanoate |
| 2- | propenyl 3-cyclohexylpropanoate |
| 2- | propenyl cyclohexane propanoate |
| 2- | propenyl cyclohexanepropanoate |