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2-octen-4-one

Chemical Structure

General Material Information

Preferred name 2-octen-4-one
Trivial Name 2-Octen-4-one
Short Description (E)-oct-2-en-4-one
Formula C8 H14 O
CAS Number 4643-27-0
FEMA Number 3603
Flavis Number 7.082
ECHA Number 225-071-7
FDA UNII C9NB51LMXT
Nikkaji Number J297.862H
MDL MFCD00061023
COE Number 2313
xLogP3-AA 2.10 (est)
NMR Predictor External link
JECFA Food Flavoring 1129 2-octen-4-one
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 4643-27-0 ; 2-OCTEN-4-ONE
Synonyms
  • butyl propenyl ketone
  • oct-2-en-4-one
  • (2E)- oct-2-en-4-one
  • (E)- oct-2-en-4-one
  • 2 octen 4 one
  • (2E)-2-octen-4-one
  • 2-octen-4-one 96% trans
  • 2-octen-4-one natural
  • octen-4-one-2
  • propenyl butyl ketone
  • (E)-oct-2-en-4-one
  • Butyl 1-propenyl ketone

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

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Literature & References

(E)-oct-2-en-4-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:4643-27-0
Pubchem (cid):5365891
Pubchem (sid):135264099
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):HMDB31301
FooDB:FDB003353
Export Tariff Code:2914.19.9090
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 126.19877624512
Specific gravity @ 25 °C
Pounds per Gallon 6.948 to 7.006
Refractive Index 1.44 to 1.446 @ 20 °C
Boiling Point 179 to 180°C @ 760 mm Hg
Vapor Pressure 0.897 mmHg @ 25 °C
Flash Point TCC Value 57.78 °C TCC
logP (o/w) 2.157 est
Shelf life 12 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol Yes
water, 1045 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Yeasty
yeasty, jammy, tropical, fruity, mushroom, metallic, bready, pineapple, horseradish, earthy
General comment At 1.00 % in dipropylene glycol. yeast jam preserves tropical fruit mushroom metallic
Mosciano, Gerard P&F 26, No. 3, 80, (2001) At 1.00 %. Yeasty, fruity, mushroom, metallic, bready, pineapple, horseradish, earthy
Flavor Type: Vegetable
vegetable, green, earthy, horseradish, fishy, ketonic, onion, musty, tropical, yeasty, bready, mushroom, fermented
Mosciano, Gerard P&F 26, No. 3, 80, (2001) At 2.00 ppm. Vegetable green earthy, horseradish, anchovy, earthy, ketonic, onion, musty, tropical lift, yeasty, bready, mushroom, fermented
Used in flavours for confectionery at 5ppm, in dairy products and beverages at 1ppm. Council of Europe limits: Foods (2 ppm); Beverages (1 ppm). Green
General comment Reminiscent of mangos

Occurrences

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:
Not determined
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 2-octen-4-one usage levels up to:
0.2000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.85 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 3.00 (μg/capita/day)
Structure Class: II
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: 12
Click here to view publication 12
average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): -1.00000
beverages(alcoholic): -1.00000
breakfast cereal: --
cheese: --
chewing gum: -10.00000
condiments / relishes: --
confectionery froastings: -5.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.00000
fruit ices: --
gelatins / puddings: -1.00000
granulated sugar: --
gravies: --
hard candy: --
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):4643-27-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5365891
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
(E)-oct-2-en-4-one
Chemidplus:0004643270