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berry pentadienoate
General Material Information
| Preferred name | berry pentadienoate |
| Trivial Name | Ethyl 2-methyl-3,4-pentadienoate |
| Short Description | ethyl 2-methyl-3,4-pentadienoate |
| Formula | C8 H12 O2 |
| CAS Number | 60523-21-9 |
| FEMA Number | 3678 |
| Flavis Number | 9.54 |
| ECHA Number | 262-278-1 |
| FDA UNII | ZBL6PWV9J9 |
| Nikkaji Number | J65.564C |
| Beilstein Number | 1926000 |
| xLogP3-AA | 1.40 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 353 ethyl 2-methyl-3,4-pentadienoate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 60523-21-9 ; ETHYL 2-METHYL-3,4-PENTADIENOATE |
| 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 |
Literature & References
| ethyl 2-methylpenta-3,4-dienoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 60523-21-9 |
| Pubchem (cid): | 62166 |
| Pubchem (sid): | 135020539 |
| Publications by Google Patents | |
| Ethyl-2-methyl-3,4-pentadienoate perfume compositions | |
| Publications by US Patents | |
| 3,976,801 - Flavoring compositions containing alkyl esters of 2-methyl-4-pentenoic acid | |
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): | HMDB37196 |
| FooDB: | FDB016200 |
| Export Tariff Code: | 2916.19.6000 |
| ChemSpider: | View |
Suppliers
| Bedoukian Research | BOC Sciences |
| Carbosynth | Penta International |
| Synerzine | Taytonn ASCC |
| Bedoukian Research, Inc. | Penta International Corporation |
| Synerzine, Inc. | Taytonn ASCC Pte Ltd |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 140.18203735352 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.672 to 7.722 |
| Refractive Index | 1.446 to 1.452 @ 20 °C |
| Vapor Pressure | 1.319 mmHg @ 25 °C |
| Flash Point TCC Value | 43.33 °C TCC |
| logP (o/w) | 1.833 est |
| Shelf life | 48 months (or longer if stored properly.) |
| Solubility | |
| alcohol | Yes |
| water, 599.2 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Fruity | |
| fruity, tropical, tutti frutti, rummy, green, strawberry, earthy, berry, sweet | |
| Odor strength | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity | > 6 hour(s) at 100.00 % |
| Luebke, William tgsc, (2021) | At 100.00 %. fruity tropical tutti frutti rummy green strawberry earthy berry |
| Mosciano, Gerard P&F 16, No. 5, 71, (1991) | Green, sweet, fruity, tufti-frutti-Iike with tropical and rummy nuances |
| Flavor Type: Fruity | |
| fruity, tropical, tutti frutti, green, berry, strawberry, grape, juicy | |
| Luebke, William tgsc, (2021) | Fruity tropical tutti frutti green berry strawberry grape juicy |
| Mosciano, Gerard P&F 16, No. 5, 71, (1991) | At 15.00 ppm. Fruity, green, berry, punchy, with juicy nuances |
| Strawberry, apple, and other fruits. | Fresh strawberry, apple |
Potential Uses
| Applications | |
| Odor purposes | Apple, Apricot, Banana, Berry, Guava, Mango, Passion fruit, Pear, Saffron, Strawberry, Valerian |
| Flavoring purposes | Valerian |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 10 - Flammable. R 22 - Harmful if swallowed. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 36/39 - Wear suitable clothing 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: | |
| gavage-mouse LD50 [sex: M] 1316 mg/kg (Babish, 1978c) gavage-mouse LD50 [sex: F] 892 mg/kg (Babish, 1978c) gavage-mouse LD50 [sex: M/F] 770 mg/kg (Moran et al., 1980) oral-mouse LD50 770 mg/kg Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980. | |
| 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 berry pentadienoate usage levels up to: | |||
| 4.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 10.00 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | ND (μg/person/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: 13 | |||
| Click here to view publication 13 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | 1.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 5.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 2.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | 2.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 2.00000 | |
| imitation dairy: | - | 1.00000 | |
| 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: | - | 1.00000 | |
| 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): |
| Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 6 (FGE.06): Straight-and branched-chain aliphatic unsatured primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4 View page or View pdf |
| Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to Flavouring Group Evaluation 5: Esters of 23 branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and 24 branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 View page or View pdf |
| Flavouring Group Evaluation 6, Revision 1 (FGE.06Rev1) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| Flavouring Group Evaluation 5, Revision 1 (FGE.05Rev1):Esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| Flavouring Group Evaluation 5, Revision 2 (FGE.05Rev2): Branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols from chemical groups 1, 2, 3 and 5 View page or View pdf |
| Flavouring Group Evaluation 62 Rev1 (FGE.62 Rev1): Consideration of of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st and 68th meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06Rev1 (2008) View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):60523-21-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :62166 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1993 |
| ethyl 2-methylpenta-3,4-dienoate |
| Chemidplus:0060523219 |