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allyl heptanoate
General Material Information
| Preferred name | allyl heptanoate |
| Trivial Name | Allyl heptanoate |
| Short Description | heptanoic acid, 2-propenyl ester |
| Formula | C10 H18 O2 |
| CAS Number | 142-19-8 |
| FEMA Number | 2031 |
| Flavis Number | 9.097 |
| ECHA Number | 205-527-1 |
| FDA UNII | AU4CYG9V68 |
| Nikkaji Number | J36.956J |
| MDL | MFCD00038341 |
| COE Number | 369 |
| xLogP3-AA | 3.20 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 4 allyl heptanoate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 142-19-8 ; ALLYL HEPTANOATE |
| 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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB40208 |
| FooDB: | FDB019920 |
| Export Tariff Code: | 2915.90.0000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 170.25186157227 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.322 to 7.364 |
| Refractive Index | 1.426 to 1.43 @ 20 °C |
| Boiling Point | 210 to 212°C @ 760 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.16 mmHg @ 25 °C |
| Flash Point TCC Value | 82.22 °C TCC |
| logP (o/w) | 3.637 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 | |
| alcohol | Yes |
| water, 63 mg/L @ 20 °C (exp) | Yes |
| water | No |
| Stability | |
| soap | Unspecified |
Organoleptic Properties
| Odor Type: Fruity | |
| sweet, pineapple, fruity, waxy, banana, fusel, cognac, ripe, fermented | |
| Odor strength | medium |
| Substantivity | 4 hour(s) at 100.00 % |
| Luebke, William tgsc, (1990) | At 100.00 %. sweet pineapple fruity waxy banana fusel cognac |
| Mosciano, Gerard P&F 17, No. 1, 41, (1992) | Sweet, pineapple-like, fruity with a slight waxy ripe fermented note |
| Flavor Type: Fruity | |
| banana, fruity, pineapple, waxy, tropical | |
| General comment | Banana |
| Mosciano, Gerard P&F 17, No. 1, 41, (1992) | At 10.00 ppm. Fruity, pineapple-like with a waxy tropical nuance |
| Can be used in pineapple, apple, sour cherry, tropical, pear, papaya and orange juice flavors. | Fruity |
| Useful in: fruity tropical, fruity others. | Green, fruity, pineapple, pear |
Potential Uses
| Applications | |
| Odor purposes | Apple , Apple blossom , Apricot , Banana , Cherry , Magnolia , Orange , Papaya , Peach blossom , Pear , Pineapple , Sweet pea , Wisteria |
| Flavoring purposes | Fruit tropical fruit |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn N - Harmful, Dangerous for the environment. | |
| R 21/22 - Harmful in contact with skin and if swallowed. R 38 - Irritating to skin. R 50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. 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: | |
| oral-rat LD50 500 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA Toxicology and Applied Pharmacology. Vol. 6, Pg. 378, 1964. oral-mouse LD50 630 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Toxicology and Applied Pharmacology. Vol. 7, Pg. 18, 1965. oral-guinea pig LD50 444 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 810 mg/kg Food and Cosmetics Toxicology. Vol. 15, Pg. 619, 1977. | |
| 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 heptanoate usage levels up to: | |||
| 4.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 12.92 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 28.00 (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: | - | 6.40000 | |
| beverages(nonalcoholic): | - | 1.30000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 86.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 2.70000 | |
| fruit ices: | - | 2.70000 | |
| gelatins / puddings: | - | 2.90000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 6.40000 | |
| 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 |
| Safety and efficacy of 26 compounds belonging to chemical group 3 (a,ß-unsaturated straight-chain and branched-chain aliphatic primary alcohols, aldehydes, acids and esters) when used as flavourings for all animal species and categories View page or View pdf |
| Safety of 31 flavouring compounds belonging to different chemical groups when used as feed additives for all animal species View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):142-19-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :8878 |
| National Institute of Allergy and Infectious Diseases:Data |
| SCCNFP:opinion |
| WISER:UN 2810 |
| WGK Germany:3 |
| prop-2-enyl heptanoate |
| Chemidplus:0000142198 |
| RTECS:MJ1750000 for cas# 142-19-8 |