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4-hexen-3-one

Chemical Structure

General Material Information

Preferred name 4-hexen-3-one
Trivial Name 4-Hexen-3-one
Short Description hex-4-en-3-one
Formula C6 H10 O
CAS Number 2497-21-4
FEMA Number 3352
Flavis Number 7.048
ECHA Number 219-681-2
FDA UNII Search
MDL MFCD00010631
COE Number 718
xLogP3-AA 1.20 (est)
NMR Predictor External link
JECFA Food Flavoring 1125 4-hexen-3-one
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 2497-21-4 ; 4-HEXENE-3-ONE
Synonyms
  • hex-4-en-3-one
  • 2-hexen-4-one
  • 4-hexene-3-one
  • hexene-3-one-4
  • 2-Hexen-4-one
  • Ethyl 1-propenyl ketone
  • NSC 245483

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

Google Scholar Start search
Google Books Start search
Google Patents Start search
Perfumer & Flavorists Start search
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PubMeb Start search
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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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB35239
FooDB:FDB013898
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 98.144897460938
Specific gravity @ 20 °C
Pounds per Gallon 7.123 to 7.173
Specific gravity @ 25 °C
Pounds per Gallon 7.114 to 7.164
Refractive Index 1.437 to 1.443 @ 20 °C
Refractive Index 1.437 to 1.443 @ 20 °C
Boiling Point 135 to 137°C @ 760 mm Hg
Vapor Pressure 6.71 mmHg @ 25 °C
Flash Point TCC Value 34.44 °C TCC
logP (o/w) 1.16 est
Solubility
alcohol Yes
water, 8974 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Acidic
pungent, ethereal, spicy, green, tropical, metallic, acidic
General comment At 1.00 % in propylene glycol. pungent ethereal spicy green tropical metallic
Mosciano, Gerard P&F 18, No. 3, 53, (1993) Pungent, acrid, metallic and etherial
Flavor Type: Ethereal
ethereal, whiskey, metallic, fruity, tropical
Mosciano, Gerard P&F 18, No. 3, 53, (1993) At 20.00 ppm. Etherial, whiskey-Iike and metallic, fruity with tropical nuances

Occurrences

Potential Uses

Applications
Flavoring purposes Butterscotch, Cognac, Horseradish, Rum, Savory, Savory, Spice, Tropical, Whiskey

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 10 - Flammable.
R 22 - Harmful if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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-mouse LD50 780 mg/kg
Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavoring agents
Recommendation for 4-hexen-3-one usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 13.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 1.00 (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: 6
Click here to view publication 6
average usual ppmaverage maximum ppm
baked goods: -1.00000
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: -1.00000
cheese: --
chewing gum: -1.00000
condiments / relishes: -1.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.00000
fruit ices: -1.00000
gelatins / puddings: -1.00000
granulated sugar: --
gravies: -1.00000
hard candy: -1.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -1.00000
milk products: -1.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -1.00000
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):2497-21-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :17244
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1224
WGK Germany:3
hex-4-en-3-one
Chemidplus:0002497214
RTECS:MP8659900 for cas# 2497-21-4