Articles:
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2,4-decadienoic acid, propyl ester
Notes:
Flavouring ingredient with a Bartlett pear flavour
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| CAS Number: | 84788-08-9 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 284-147-8 | |
| FDA UNII: | S96HRQ62W9 | |
| CoE Number: | 10889 | |
| XlogP3-AA: | 4.50 (est) | |
| Molecular Weight: | 210.31674000 | |
| Formula: | C13 H22 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| EFSA/JECFA Comments: | According to the JECFA: Min. assay value is "95 % (sum of isomers)". Register name to be changed to Propyl 2,4-decadienoate and in accordance with the actual stereoisomeric composition. | |
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: | 1194 propyl 2,4-decadienoate |
| DG SANTE Food Flavourings: | 09.840 propyl 2,4-decadienoate |
| FEMA Number: | 3648 propyl 2,4-decadienoate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 84788-08-9 ; PROPYL 2,4-DECADIENOATE |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.91300 to 0.91900 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.597 to 7.647 |
| Refractive Index: | 1.46800 to 1.47500 @ 20.00 °C. |
| Boiling Point: | 110.00 °C. @ 0.40 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.003000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 262.00 °F. TCC ( 127.78 °C. ) |
| logP (o/w): | 4.963 (est) |
| Soluble in: | |
| alcohol | |
| water, 2.769 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: fruity | |
| Odor Strength: | medium , recommend smelling in a 10.00 % solution or less |
| fatty melon green pear | |
| Odor Description: at 10.00 % in dipropylene glycol. | fatty melon green pear |
| fatty melon green pear fresh vegetable | |
| Odor Description: | Fatty, melon, green, pear with fresh vegetable nuances Mosciano, Gerard P&F 15, No. 4, 59, (1990) |
| Flavor Type: melon | |
| melon green pear waxy tropical | |
| Taste Description: at 10.00 ppm. | Melon, green, pear, with waxy tropical nuances Mosciano, Gerard P&F 15, No. 4, 59, (1990) |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| Propyl 2,4-decadienoate |
| Parchem |
| propyl 2,4-decadienoate |
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 | |||
| Recommendation for propyl 2,4-decadienoate usage levels up to: | |||
| 1.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.77 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | ND (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: 12 | |||
| Click here to view publication 12 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | 10.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 20.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | 20.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | 20.00000 | |
| 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:
| Flavor & Extract Manufacturers Association (FEMA) reference(s): | |
| The FEMA GRAS assessment of alpha,beta-unsaturated aldehydes and related 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): | |
| Flavouring Group Evaluation 70 (FGE.70): Consideration of aliphatic, alicyclic, linear, alpha,beta-unsaturated, di- and trienals and related alcohols, acids and esters evaluated by JECFA (61st meeting) View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 70, Revision 1 (FGE.70Rev1): consideration of aliphatic, linear, a,ß-unsaturated, di- and trienals and related alcohols, acids and esters evaluated by JECFA (61st-68th-69th meeting) 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 : | 119922 |
| National Institute of Allergy and Infectious Diseases: | Data |
| propyl deca-2,4-dienoate | |
| Chemidplus: | 0084788089 |
References:
| propyl deca-2,4-dienoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 84788-08-9 |
| Pubchem (cid): | 119922 |
| Pubchem (sid): | 125723034 |
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): | HMDB37307 |
| FooDB: | FDB016326 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| apricot | FR | |
| fruit tropical fruit | FL | |
| melon | FR | |
| peach | FR | |
| pear | FR |
Occurrence (nature, food, other): note
| brandy pear brandy Search PMC Picture | |
| pear fruit Search Trop Picture |
Synonyms:
| 2,4- | decadienoic acid propyl ester |
| 2,4- | decadienoic acid, propyl ester |
| propyl deca-2,4-dienoate |