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 |
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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 |