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papaya isobutyrate
General Material Information
| Preferred name | papaya isobutyrate |
| Trivial Name | 1,1-Dimethyl-3-phenylpropyl 2-methylpropanoate |
| Short Description | 2-methyl-4-phenyl-2-butyl isobutyrate |
| Formula | C15 H22 O2 |
| CAS Number | 10031-71-7 |
| FEMA Number | 2736 |
| Flavis Number | 9.484 |
| ECHA Number | 233-092-8 |
| FDA UNII | G0GW9X884I |
| Nikkaji Number | J185.963C |
| COE Number | 2086 |
| xLogP3-AA | 4.10 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1461 2-methyl-4-phenyl-2-butyl isobutyrate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 10031-71-7 ; 2-METHYL-4-PHENYL-2-BUTYL ISOBUTYRATE |
| 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 |
| HMDB (The Human Metabolome Database): | HMDB37640 |
| FooDB: | FDB016756 |
| Export Tariff Code: | 2915.60.0000 |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 234.33874511719 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.894 to 7.961 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 7.914 to 7.981 |
| Refractive Index | 1.477 to 1.482 @ 20 °C |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.000465 mmHg @ 25 °C |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 4.474 est |
| Solubility | |
| alcohol | Yes |
| dipropylene glycol | Yes |
| water, 2.109 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Floral | |
| floral, green, geranium, honey, powdery, papaya, tropical, raisin, plum, fruity | |
| Odor strength | medium |
| Substantivity | 94 hour(s) at 100.00 % |
| Luebke, William tgsc, (2021) | At 100.00 %. floral green geranium honey powdery papaya tropical raisin plum |
| Mosciano, Gerard P&F 20, No. 5, 49, (1995) | Floral, green, fruity and powdery with a honey nuance |
| Flavor Type: Green | |
| green, geranium, floral, honey, tobacco, tropical, raisin, fruity | |
| Luebke, William tgsc, (2021) | Green geranium floral honey tobacco tropical raisin fruity |
| Mosciano, Gerard P&F 20, No. 5, 49, (1995) | At 10.00 ppm. Green, floral, fruity and honey with a tropical nuance |
Potential Uses
| Applications | |
| Odor purposes | Carob bean locust bean , Cherry , Grape , Honey , Honeysuckle , Melon , Papaya , Raspberry , Strawberry |
| Flavoring purposes | Carob bean locust bean , Tea , Tropical |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| 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 papaya isobutyrate usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 1.50 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 1.00 (μg/capita/day) | ||
| Threshold of Concern: | 1800 (μg/person/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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 2.00000 | 30.00000 | |
| beverages(nonalcoholic): | 0.50000 | 11.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 1.00000 | 44.00000 | |
| fruit ices: | 1.00000 | 44.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 11.00000 | |
| 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): |
| Flavouring Group Evaluation 89 (FGE.89): Consideration of phenyl-substituted aliphatic tertiary alcohols and related aldehydes and esters evaluated by JECFA (63rd and 68th meetings) structurally related to aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters evaluated by EFSA in FGE.18Rev1 (2009) View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):10031-71-7 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :61446 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| (2-methyl-4-phenylbutan-2-yl) 2-methylpropanoate |
| Chemidplus:0010031717 |