EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

3-penten-2-one
ethylidene acetone

Supplier Sponsors

Name:pent-3-en-2-one
CAS Number: 625-33-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:210-888-3
Beilstein Number:1633505
MDL:MFCD00009290
CoE Number:666
XlogP3:0.50 (est)
Molecular Weight:84.11796000
Formula:C5 H8 O
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring 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:1124 3-penten-2-one
FLAVIS Number:07.044 (Old)
DG SANTE Food Flavourings:07.044 pent-3-en-2-one
FEMA Number:3417 3-penten-2-one
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 3-PENTEN-2-ONE
 
Physical Properties:
Appearance:colorless to yellow clear liquid (est)
Assay: 98.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.86200 @ 25.00 °C.
Refractive Index:1.43700 @ 20.00 °C.
Boiling Point: 122.00 °C. @ 760.00 mm Hg
Vapor Pressure:14.217000 mm/Hg @ 25.00 °C. (est)
Flash Point: 70.00 °F. TCC ( 21.11 °C. )
logP (o/w): 0.520
Soluble in:
 alcohol
 water, 4.618e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
fruity acetone phenolic fishy
Odor Description:at 0.10 % in dipropylene glycol. fruity acetone phenolic fishy
acetone fruity phenolic fishy chemical
Odor Description:Sharp and acetone-like and fruity, phenolic and fishy with a chemical glue nuance
Mosciano, Gerard P&F 21, No. 5, 49, (1996)
Flavor Type: fishy
musty phenolic fishy seafood
Taste Description: at 10.00 ppm. Musty, stale water and phenolic with a fishy and shell fish nuance
Mosciano, Gerard P&F 21, No. 5, 49, (1996)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
3-Penten-2-one
BOC Sciences
For experimental / research use only.
(3E)-3-penten-2-one 95%
DeLong Chemicals America
3-Penten-2-one
M&U International
3-PENTEN-2-ONE, Kosher
Parchem
3-penten-2-one
Penta International
3-PENTEN-2-ONE
Santa Cruz Biotechnology
For experimental / research use only.
3-Penten-2-one
Sigma-Aldrich
3-Penten-2-one, ≥70%
Certified Food Grade Products
Synerzine
3-Penten-2-one
WholeChem
3-Penten-2-one
 
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
 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,-unsaturated ketones and precursors from chemical subgroup 1.2.1 of FGE.19 by EFSA
View page or View pdf

EPI System: View
Env. Mutagen Info. Center: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
 
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
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Everything Added to Food in the United States (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
 
Potential Blenders and core components note
For Odor
For Flavor
No flavor group found for these
2-
acetyl-1-pyrroline
FL
hexyl amine
FL
2-
methyl butyl amine
FL
iso
pentylidene isopentyl amine
FL
phenethyl amine
FL
tripropyl amine
FL
 
Potential Uses:
 chocolate cocoa
FLcoffee
FLmango
FLnut
FLshrimp
FRtobacco
FLtomato
 
Occurrence (nature, food, other):note
 beef cooked beef
Search PMC Picture
 bilberry fruit
Search Trop Picture
 bonito dried bonito
Search PMC Picture
 cheese parmesan cheese
Search PMC Picture
 cherimoya
Search Trop Picture
 cocoa
Search Trop Picture
 coffee
Search PMC Picture
 cranberry fruit
Search Trop Picture
 elder black elder flower oil
Search Trop Picture
 endive
Search Trop Picture
 filbert roasted filbert
Search Trop Picture
 katsuobushi
Search PMC Picture
 lavender oil spike spain @ 0.012%
Data GC Search Trop Picture
 mango fruit
Search Trop Picture
 peanut roasted peanut
Search Trop Picture
 pork liver
Search PMC Picture
 potato chip
Search PMC Picture
 rum
Search PMC Picture
 safflower bud
Search Trop Picture
 shrimp
Search PMC Picture
 shrimp cooked shrimp
Search PMC Picture
 strawberry wild strawberry fruit
Search Trop Picture
 tamarind fruit oil
Search Trop Picture
 tamarind seed oil
Search Trop Picture
 tea
Search Trop Picture
 tea green tea
Search Trop Picture
 tea rooibos tea
Search Trop Picture
 tomato
Search Trop Picture
 trassi
Search Picture
 vanilla
Search Picture
 yogurt
Search Picture
 
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
 
 
Notes:
Flavouring ingredient. Found in roasted peanuts, roasted filbert, cranberry, bilberry, coca, tea and other foods Methyl propenyl ketone is a volatile organic compound. Methyl propenyl ketone is occasionally found as a volatile component of normal human biofluids. It is found as a volatile in the hawthorn fruit upon ripening, and also is part of the scent components of the urine of some animals. (PMID: 5556886, 16770722, 15739361, 914932)
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