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

2-hepten-4-one
ethyl ethylidene acetone

Sponsors

Name:hept-2-en-4-one
CAS Number: 4643-25-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:225-070-1
FDA UNII:RSJ7CM9MIK
Nikkaji Web:J297.861J
CoE Number:11093
XlogP3-AA:1.60 (est)
Molecular Weight:112.17184000
Formula:C7 H12 O
NMR Predictor:Predict (works with chrome or firefox)
Also(can) Contains:(E)-2-hepten-4-one
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:1126 2-hepten-4-one
FLAVIS Number:07.104 (Old)
DG SANTE Food Flavourings:07.104 hept-2-en-4-one
FEMA Number:3399 2-hepten-4-one
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 2-HEPTEN-4-ONE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 99.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.84500 to 0.85200 @ 25.00 °C.
Pounds per Gallon - (est).: 7.031 to 7.089
Refractive Index:1.44000 to 1.44500 @ 20.00 °C.
Boiling Point: 156.00 to 157.00 °C. @ 760.00 mm Hg
Boiling Point: 74.00 to 75.00 °C. @ 12.00 mm Hg
Vapor Pressure:2.703000 mm/Hg @ 25.00 °C. (est)
Flash Point: 126.00 °F. TCC ( 52.22 °C. )
logP (o/w): 1.670 (est)
Soluble in:
 alcohol
 water, slightly
 water, 3087 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: ethereal
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
ethereal
Odor Description:at 0.10 % in propylene glycol. ethereal
Flavor Type: vegetable
">asparagus vegetable
Taste Description: asparagus
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Apiscent Labs
2 HEPTEN 4 ONE
Odor: Very diffusive ethereal
Flavor: vegetable like asparagus
BOC Sciences
For experimental / research use only.
2-Hepten-4-one
Parchem
2-hepten-4-one
Penta International
2-HEPTEN-4-ONE, Kosher, Halal
 
Safety Information:
 
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: flavoring agents
Recommendation for 2-hepten-4-one usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (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: -2.00000
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.00000
fruit ices: -1.00000
gelatins / puddings: -2.00000
granulated sugar: --
gravies: --
hard candy: -2.00000
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
EPA Substance Registry Services (TSCA):4643-25-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5463238
National Institute of Allergy and Infectious Diseases:Data
hept-2-en-4-one
Chemidplus:0004643258
 
References:
 hept-2-en-4-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:4643-25-8
Pubchem (cid):5463238
Pubchem (sid):134986356
 
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):HMDB31488
FooDB:FDB008066
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
alcoholic
fusel oil
FL/FR
3-
hexanol
FL/FR
aldehydic
iso
valeraldehyde
FL/FR
buttery
butyl octanoate
FL/FR
chemical
iso
butyl formate
FL/FR
ethereal
acetal
FL/FR
acetaldehyde dimethyl acetal
FL/FR
iso
amyl acetoacetate
FL/FR
butyl acetate
FL/FR
iso
butyl alcohol
FL/FR
cyclohexyl formate
FL/FR
decyl propionate
FL/FR
2,6-
dimethyl-4-heptanol
FL/FR
ethyl 4-pentenoate
FL/FR
ethyl acetate
FL/FR
ethyl formate
FL/FR
ethyl pyruvate
FL/FR
1-
hexen-3-ol
FL/FR
methyl acetate
FL/FR
methyl ethyl ketone
FL/FR
(E)-
methyl tiglate
FL/FR
2-
methyl valeraldehyde
FL/FR
iso
propyl acetate
FL/FR
iso
propyl formate
FL/FR
propyl formate
FL/FR
propyl valerate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
fermented
iso
amyl alcohol
FL/FR
floral
nonan-3-yl acetate
FL/FR
fruity
acetaldehyde dihexyl acetal
FL/FR
acetaldehyde diisoamyl acetal
FL/FR
allyl 2-ethyl butyrate
FL/FR
allyl hexanoate
FL/FR
amyl acetate
FL/FR
amyl formate
FL/FR
amyl heptanoate
FL/FR
benzyl methyl ether
FL/FR
iso
butyl acetate
FL/FR
iso
butyl valerate
FL/FR
cyclohexyl acetate
FL/FR
ethyl 2-ethyl acetoacetate
FL/FR
2-
ethyl butyl acetate
FL/FR
ethyl isobutyrate
FL/FR
ethyl lactate
FL/FR
ethyl propionate
FL/FR
geranyl ethyl ether
FL/FR
methyl 2-methyl butyrate
FL/FR
methyl butyrate
FL/FR
methyl hexanoate
FL/FR
methyl isobutyrate
FL/FR
methyl propionate
FL/FR
2-
pentanone
FL/FR
prenyl formate
FL/FR
iso
propenyl acetate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
iso
propyl butyrate
FL/FR
propyl butyrate
FL/FR
iso
propyl isovalerate
FL/FR
iso
propyl propionate
FL/FR
tetrahydrofurfuryl acetate
FL/FR
tropical dienoate
FL/FR
green
cognac heptanone
FL/FR
(Z)-2-
penten-1-ol
FL/FR
tiglaldehyde
FL/FR
herbal
hexanol
FL/FR
mentholic
laevo-
menthol
FL/FR
(±)-iso
menthone
FL/FR
phenolic
anisole
FL/FR
spicy
ethyl vinyl ketone
FL/FR
For Flavor
No flavor group found for these
acetaldehyde 1,3-octane diol acetal
FL
acetaldehyde diisoamyl acetal
FL/FR
acetone
FL
acetyl acetaldehyde dimethyl acetal
FL
butyl methyl ketone
FL
butyl octanoate
FL/FR
decyl propionate
FL/FR
2,6-
dimethyl-4-heptanol
FL/FR
ethanol
FL
ethyl 2-methyl-2-(methyl thio) propionate
FL
ethyl 4-pentenoate
FL/FR
geranyl ethyl ether
FL/FR
2-
heptenoic acid
FL
2-
methyl butyl isobutyrate
FL
2-
methyl butyl propionate
FL
S-(
methyl thio) hexanoate
FL
(E)-
methyl tiglate
FL/FR
nonan-3-yl acetate
FL/FR
prenyl formate
FL/FR
iso
propyl isovalerate
FL/FR
propyl valerate
FL/FR
pyrazinyl methyl sulfide
FL
ortho-
vinyl anisole
FL
alcoholic
alcoholic
3-
hexanol
FL/FR
aromatic
anisole
FL/FR
brown
tetrahydrofurfuryl acetate
FL/FR
caramellic
pyruvaldehyde
FL
chemical
2,5-
dimethyl furan
FL
methyl ethyl ketone
FL/FR
citrus
cognac heptanone
FL/FR
cocoa
2-
methyl furan
FL
cooling
laevo-
menthol
FL/FR
ethereal
acetaldehyde dimethyl acetal
FL/FR
allyl 2-ethyl butyrate
FL/FR
butyl acetate
FL/FR
iso
butyl alcohol
FL/FR
ethyl acetate
FL/FR
ethyl formate
FL/FR
ethyl isobutyrate
FL/FR
4-
hexen-3-one
FL
methyl acetate
FL/FR
methyl isobutyrate
FL/FR
iso
propenyl acetate
FL/FR
iso
propyl acetate
FL/FR
fruity
allyl hexanoate
FL/FR
amyl acetate
FL/FR
iso
amyl acetoacetate
FL/FR
amyl formate
FL/FR
amyl heptanoate
FL/FR
benzyl methyl ether
FL/FR
iso
butyl acetate
FL/FR
iso
butyl valerate
FL/FR
ethyl 2-ethyl acetoacetate
FL/FR
2-
ethyl butyl acetate
FL/FR
ethyl lactate
FL/FR
ethyl propionate
FL/FR
fusel oil
FL/FR
methyl 2-methyl butyrate
FL/FR
2-
methyl allyl butyrate
FL
methyl hexanoate
FL/FR
methyl propionate
FL/FR
2-
pentanone
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
propyl butyrate
FL/FR
iso
propyl butyrate
FL/FR
propyl formate
FL/FR
iso
propyl formate
FL/FR
iso
propyl propionate
FL/FR
tiglaldehyde
FL/FR
tropical dienoate
FL/FR
iso
valeraldehyde
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
fusel
iso
amyl alcohol
FL/FR
methyl butyrate
FL/FR
green
acetaldehyde dihexyl acetal
FL/FR
cyclohexyl formate
FL/FR
2-
ethyl butyraldehyde
FL
2-
ethyl-5-methyl thiophene
FL
hexanol
FL/FR
1-
hexen-3-ol
FL/FR
4-
methyl-2-pentenal
FL
(Z)-2-
penten-1-ol
FL/FR
minty
(±)-iso
menthone
FL/FR
musty
propionaldehyde
FL
nutty
acetal
FL/FR
pungent
acetaldehyde
FL
rummy
iso
butyl formate
FL/FR
ethyl pyruvate
FL/FR
rum
FL
solvent
cyclohexyl acetate
FL/FR
spicy
ethyl vinyl ketone
FL/FR
sweet
acetone alcohol
FL
vegetable
2-
methyl valeraldehyde
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 filbert roasted filbert
Search Trop Picture
 
Synonyms:
1-butyrl propylene
 ethyl ethylidene acetone
 hept-2-en-4-one
2 hepten 4 one
 propenyl propyl ketone
 
 
Notes:
Flavouring ingredient
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