| Preferred name | 3-penten-2-one |
| Trivial Name | 3-Penten-2-one |
| Short Description | ethylidene acetone |
| Formula | C5 H8 O |
| CAS Number | 625-33-2 |
| FEMA Number | 3417 |
| Flavis Number | 7.044 |
| ECHA Number | 210-888-3 |
| FDA UNII | Search |
| Beilstein Number | 1633505 |
| MDL | MFCD00009290 |
| COE Number | 666 |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1124 3-penten-2-one |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 625-33-2 ; 3-PENTEN-2-ONE |
| Synonyms |
|
| 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 |
| pent-3-en-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 625-33-2 |
| Pubchem (cid): | 12248 |
| Pubchem (sid): | 134977882 |
| Pherobase: | View |
| Publications by Info | |
| Volatile Flavor Components in Bogyojosaeng and Suhong Cultivars of Strawberry (Fragaria ananassa Duch.) | |
| (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): | HMDB01184 |
| FooDB: | FDB008241 |
| Export Tariff Code: | 2914.10 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Material listed in food chemical codex | No |
| Molecular weight | 84.117958068848 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.156 to 7.198 |
| Refractive Index | 1.433 to 1.437 @ 20 °C |
| Vapor Pressure | 14.217 mmHg @ 25 °C |
| Flash Point TCC Value | 21.11 °C TCC |
| logP (o/w) | 0.52 |
| Solubility | |
| alcohol | Yes |
| water, 4.618e+004 mg/L @ 25 °C (est) | Yes |
| water | No |
| Odor Type: Fruity | |
| fruity, acetone, phenolic, fishy, chemical | |
| General comment | At 0.10 % in dipropylene glycol. fruity acetone phenolic fishy |
| Mosciano, Gerard P&F 21, No. 5, 49, (1996) | Sharp and acetone-like and fruity, phenolic and fishy with a chemical glue nuance |
| Flavor Type: Fishy | |
| musty, phenolic, fishy, seafood | |
| Mosciano, Gerard P&F 21, No. 5, 49, (1996) | At 10.00 ppm. Musty, stale water and phenolic with a fishy and shell fish nuance |
| (data available) |
| Applications | |
| Odor purposes | Tobacco |
| Flavoring purposes | Chocolate cocoa , Coffee , Mango , Nut , Prawn , Tomato |
| 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: | |
| oral-rat LD50 3200 mg/kg Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 63, 1948. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 500 ul/kg Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 63, 1948. | |
| Inhalation Toxicity: | |
| inhalation-rat TCLo 250 ppm/4H Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 343, 1949. | |
| Category: | |||
| flavoring agents | |||
| Recommendation for 3-penten-2-one usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.26 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | ND (μg/capita/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: 7 | |||
| Click here to view publication 7 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 4.00000 | |
| beverages(nonalcoholic): | - | 2.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | 2.00000 | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 2.00000 | |
| fruit ices: | - | 2.00000 | |
| gelatins / puddings: | - | 4.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 4.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | 1.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| 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): |
| Scientific Opinion on Flavouring Group Evaluation 204 (FGE.204): Consideration of genotoxicity data on representatives for 18 mono-unsaturated, aliphatic, a,ß-unsaturated ketones and precursors from chemical subgroup 1.2.1 of FGE.19 by EFSA View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 204 Revision 1 (FGE.204Rev1): consideration of genotoxicity data on representatives for 17 monounsaturated, aliphatic, a,ß-unsaturated ketones and precursors from chemical subgroup 1.2.1 of FGE.19 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):625-33-2 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :12248 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1992 |
| WGK Germany:3 |
| pent-3-en-2-one |
| Chemidplus:0000625332 |
| RTECS:SB3850000 for cas# 625-33-2 |