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3-penten-2-one

Chemical Structure

General Material Information

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
  • ethylidene acetone
  • ketone, methyl propenyl
  • ketone, methyl trans-1-propenyl
  • methyl 1-propenyl ketone
  • methyl propenyl ketone
  • pent-3-en-2-one
  • 2-oxo-3-pentene
  • Ethylideneacetone
  • 2-Oxo-3-pentene
  • 2-Penten-4-one
  • NSC 61468

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

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.)

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):HMDB01184
FooDB:FDB008241
Export Tariff Code:2914.10
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

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

Organoleptic Properties

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

Occurrences

Potential Uses

Applications
Odor purposes Tobacco
Flavoring purposes Chocolate cocoa, Coffee, Mango, Nut, Prawn, Tomato

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:
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.

Safety in use information

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 ppmaverage 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: --

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):

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