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

ethyl 3-oxohexanoate
hexanoic acid, 3-oxo-, ethyl ester

Sponsors

Name:ethyl 3-oxohexanoate
CAS Number: 3249-68-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:221-835-9
FDA UNII:8Q1AHG710E
Nikkaji Web:J100.919B
Beilstein Number:0507689
MDL:MFCD00009401
XlogP3:1.10 (est)
Molecular Weight:158.19718000
Formula:C8 H14 O3
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:602 ethyl 3-oxohexanoate
FLAVIS Number:09.542 (Old)
DG SANTE Food Flavourings:09.542 ethyl 3-oxohexanoate
FEMA Number:3683 ethyl 3-oxohexanoate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: ETHYL 3-OXOHEXANOATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.97400 to 0.98000 @ 25.00 °C.
Pounds per Gallon - (est).: 8.105 to 8.155
Refractive Index:1.41700 to 1.42700 @ 20.00 °C.
Boiling Point: 104.00 °C. @ 22.00 mm Hg
Boiling Point: 90.00 °C. @ 10.00 mm Hg
Vapor Pressure:0.243000 mm/Hg @ 25.00 °C. (est)
Flash Point: 173.00 °F. TCC ( 78.33 °C. )
logP (o/w): 1.386 (est)
Soluble in:
 alcohol
 fats
 water, slightly
 water, 1.508e+004 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: green
Odor Strength:medium
sweet green sweaty fruity berry
Odor Description:at 100.00 %. sweet green sweaty fruity berry
sweet green sweaty fruity
Odor Description:Sweet, green, sweaty with fruity notes
Mosciano, Gerard P&F 15, No. 1, 19, (1990)
Flavor Type: fruity
fruity pineapple green sweet licorice vanilla
Taste Description: at 50.00 ppm. Fruity, pineapple, green with sweet licorice and vanilla notes
Mosciano, Gerard P&F 15, No. 1, 19, (1990)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Ethyl 3-oxohexanoate
EMD Millipore
For experimental / research use only.
Ethyl 3-oxohexanoate
Inoue Perfumery
ETHYL 3-OXOHEXANOATE
Penta International
ETHYL-3-OXOHEXANOATE
Santa Cruz Biotechnology
For experimental / research use only.
Ethyl 3-oxohexanoate
Sigma-Aldrich
Ethyl 3-oxohexanoate, ≥98%
Odor: berry; green; mossy
Certified Food Grade Products
Synerzine
Ethyl 3-oxohexanoate
TCI AMERICA
For experimental / research use only.
Ethyl 3-oxohexanoate >95.0%(GC)
 
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 > 300 mg/kg
United States Patent Document. Vol. #5217973

oral-mouse LD50 8000 mg/kg
(Pellmont, 1973a)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for ethyl 3-oxohexanoate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.024 (μg/capita/day)
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: 13
 average usual ppmaverage maximum ppm
baked goods: -5.00000
beverages(nonalcoholic): -1.50000
beverages(alcoholic): -3.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: -3.00000
egg products: --
fats / oils: -2.50000
fish products: --
frozen dairy: --
fruit ices: -2.50000
gelatins / puddings: -3.00000
granulated sugar: --
gravies: --
hard candy: -7.50000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
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):

Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to - Flavouring Group Evaluation 10: Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 10, Revision 1 (FGE10 Rev1)[1] - Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 10, Revision 2 (FGE.10Rev2): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :238498
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
ethyl 3-oxohexanoate
Chemidplus:0003249681
RTECS:MO8420500 for cas# 3249-68-1
 
References:
 ethyl 3-oxohexanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:3249-68-1
Pubchem (cid):238498
Pubchem (sid):135263341
 
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
CHEBI:View
KEGG (GenomeNet):C02975
HMDB (The Human Metabolome Database):HMDB31307
FooDB:FDB003363
Export Tariff Code:2918.30.9000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:Ethyl 3-oxohexanoate
 
Potential Blenders and core components note
For Odor
No odor group found for these
(E)-
tiglaldehyde
FL/FR
acidic
acidic
2-
methyl-2-pentenoic acid
FL/FR
alliaceous
methyl furfuryl disulfide
FL/FR
amber
ambrette seed absolute
FL/FR
animal
para-
cresyl isobutyrate
FL/FR
methyl (E)-2-octenoate
FL/FR
balsamic
fir carboxylate
FR
pine needle absolute
FL/FR
berry
blackberry infusions
FL/FR
blueberry infusions
FL/FR
black
currant infusions
FL/FR
raspberry essence
FL/FR
raspberry infusions
FL/FR
rubus fruticosus fruit extract
FL/FR
camphoreous
3-
benzylidene-2-butanone
FL/FR
beta-homo
cyclocitral
FL/FR
caramellic
maltyl isobutyrate
FL/FR
cheesy
valeric acid
FL/FR
creamy
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
ethereal
propyl formate
FL/FR
fatty
allyl octanoate
FL/FR
3-
decen-2-one
FL/FR
hexyl pivalate
FR
methyl 2-hexenoate
FL/FR
(E)-2-
octenal
FL/FR
fermented
3-
methyl-1-pentanol
FL/FR
valeraldehyde
FL/FR
floral
alpha-
amyl cinnamaldehyde diethyl acetal
FR
citronellyl propionate
FL/FR
alpha-
damascone
FL/FR
gamma-
damascone
FR
dihydro-alpha-ionone
FL/FR
6,8-
dimethyl-2-nonanol
FR
(E)-
geranyl acetone
FL/FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
beta-
ionone
FL/FR
lily propanol
FR
papaya isobutyrate
FL/FR
phenethyl hexanoate
FL/FR
phenethyl isovalerate
FL/FR
rose butanoate
FL/FR
rose carboxylate
FR
fruity
acetaldehyde dihexyl acetal
FL/FR
allyl cyclohexyl propionate
FL/FR
allyl heptanoate
FL/FR
allyl hexanoate
FL/FR
amyl hexanoate
FL/FR
iso
amyl hexanoate
FL/FR
iso
amyl octanoate
FL/FR
3-
benzyl-4-heptanone
FL/FR
berry hexanoate
FR
berry pentadienoate
FL/FR
blueberry essence
FL/FR
boysenberry essence
FL/FR
iso
butyl 2-butenoate
FL/FR
iso
butyl butyrate
FL/FR
iso
butyl hexanoate
FL/FR
butyl hexanoate
FL/FR
iso
butyl isobutyrate
FL/FR
iso
butyl isovalerate
FL/FR
butyl isovalerate
FL/FR
butyl valerate
FL/FR
cinnamyl isobutyrate
FL/FR
black
currant essence
FL/FR
red
currant essence
FL/FR
cyclohexyl isovalerate
FL/FR
dihydroactinidolide
FL/FR
ethyl 2-hydroxy-3-methyl valerate
FL/FR
ethyl 2-octenoate
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl heptanoate
FL/FR
ethyl hexanoate
FL/FR
ethyl isovalerate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
(E,E)-
ethyl sorbate
FL/FR
filbert hexenone
FL/FR
geranyl isovalerate
FL/FR
heliotropyl isobutyrate
FL/FR
heptyl isobutyrate
FL/FR
hexanal propylene glycol acetal
FL/FR
(Z)-3-
hexen-1-yl 2-methyl-2-pentenoate
FR
hexyl isovalerate
FL/FR
hexyl propionate
FL/FR
beta-
ionone epoxide
FL/FR
linalyl hexanoate
FL/FR
maltyl butyrate
FL/FR
methyl 2-methyl valerate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
methyl isovalerate
FL/FR
methyl valerate
FL/FR
neryl isobutyrate
FL/FR
3-
nonen-2-one
FL/FR
osmanthus flower absolute
FL/FR
4-
phenyl-2-butyl acetate
FL/FR
prenyl acetate
FL/FR
iso
propenyl acetate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
propyl butyrate
FL/FR
propyl heptanoate
FL/FR
propyl hexanoate
FL/FR
red
raspberry essence
FL/FR
black
raspberry essence
FL/FR
ribes nigrum fruit extract
FL/FR
ribes rubrum fruit extract
FL/FR
strawberry glycidate 2
FL/FR
strawberry infusions
FL/FR
styralyl butyrate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
vanilla carboxylate
FL/FR
green
acetaldehyde benzyl 2-methoxyethyl acetal
FL/FR
acetaldehyde methyl hexyl acetal
FR
butyl 2-methyl butyrate
FL/FR
cognac heptanone
FL/FR
ethyl (E)-2-hexenoate
FL/FR
ethyl (E)-4-decenoate
FL/FR
green dioxolane
FR
(Z)-3-
hexen-1-yl (E)-2-hexenoate
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(E)-2-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
2-
hexenyl acetate
FL/FR
hexyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
methyl (E)-3-hexenoate
FL/FR
(E)-2-
pentenal
FL/FR
phenethyl tiglate
FL/FR
alpha-iso
propyl phenyl acetaldehyde
FL/FR
sorbyl isobutyrate
FL/FR
thiogeraniol
FL/FR
herbal
barosma betulina leaf oil
FL/FR
clary sage absolute
FL/FR
pinocarveol
FL/FR
tricyclodecyl acetate
FR
honey
methyl phenyl acetate
FL/FR
mentholic
menthyl acetate racemic
FL/FR
musty
ketoiso
phorone
FL/FR
soapy
ambrettolide
FL/FR
spicy
(E)-
cinnamyl isovalerate
FL/FR
black
currant bud absolute
FL/FR
methyl heptadienone
FL/FR
sulfurous
blackberry thiophenone
FL/FR
buchu mercaptan
FL/FR
waxy
9-
decenoic acid
FL/FR
ethyl octanoate
FL/FR
(E)-
methyl geranate
FL/FR
(E)-2-
octen-1-yl butyrate
FL/FR
woody
iso
bornyl isovalerate
FL/FR
woody acetate
FR
For Flavor
No flavor group found for these
acetaldehyde benzyl 2-methoxyethyl acetal
FL/FR
allyl tiglate
FL
3-
benzylidene-2-butanone
FL/FR
blackberry thiophenone
FL/FR
butyl 2-methyl butyrate
FL/FR
2-
butyl-5-ethyl thiophene
FL
dihydroactinidolide
FL/FR
ethyl 2-hydroxy-3-methyl valerate
FL/FR
(E,E)-2,4-
heptadien-1-ol
FL
2-
hexenal diethyl acetal
FL
(Z)-3-
hexenoic acid
FL
2-
hexenyl acetate
FL/FR
hexyl propionate
FL/FR
beta-
ionone epoxide
FL/FR
linalyl hexanoate
FL/FR
menthyl acetate racemic
FL/FR
methyl 2-hexenoate
FL/FR
methyl 4-pentenoate
FL
(E)-
methyl geranate
FL/FR
(E)-2-
octen-1-yl butyrate
FL/FR
(E)-2-
octen-4-ol
FL
osmanthus flower absolute
FL/FR
4-
phenyl-2-butyl acetate
FL/FR
pine needle absolute
FL/FR
alpha-iso
propyl phenyl acetaldehyde
FL/FR
(E)-
tiglaldehyde
FL/FR
sorbyl isobutyrate
FL/FR
acidic
acidic
valeric acid
FL/FR
aromatic
para-
cresyl isobutyrate
FL/FR
berry
blackberry infusions
FL/FR
blueberry essence
FL/FR
blueberry infusions
FL/FR
black
currant infusions
FL/FR
dihydro-alpha-ionone
FL/FR
heptyl isobutyrate
FL/FR
maltyl butyrate
FL/FR
raspberry essence
FL/FR
raspberry infusions
FL/FR
rubus fruticosus fruit extract
FL/FR
rubus idaeus fruit extract
FL
camphoreous
pinocarveol
FL/FR
citrus
cognac heptanone
FL/FR
ketoiso
phorone
FL/FR
coffee
methyl furfuryl disulfide
FL/FR
cooling
beta-homo
cyclocitral
FL/FR
earthy
1-
hexen-3-yl acetate
FL
ethereal
iso
propenyl acetate
FL/FR
fatty
allyl octanoate
FL/FR
ethyl (E)-4-decenoate
FL/FR
(E)-2-
octenal
FL/FR
fishy
trimethyl amine
FL
floral
citronellyl propionate
FL/FR
(E)-
geranyl acetone
FL/FR
methyl phenyl acetate
FL/FR
fruity
acai pineapple flavor
FL
allyl cyclohexyl propionate
FL/FR
allyl heptanoate
FL/FR
allyl hexanoate
FL/FR
amyl hexanoate
FL/FR
iso
amyl hexanoate
FL/FR
iso
amyl octanoate
FL/FR
3-
benzyl-4-heptanone
FL/FR
berry pentadienoate
FL/FR
boysenberry essence
FL/FR
iso
butyl butyrate
FL/FR
iso
butyl hexanoate
FL/FR
butyl hexanoate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl isovalerate
FL/FR
butyl valerate
FL/FR
cinnamyl isobutyrate
FL/FR
(E)-
cinnamyl isovalerate
FL/FR
red
currant essence
FL/FR
black
currant essence
FL/FR
cyclohexyl isovalerate
FL/FR
alpha-
damascone
FL/FR
ethyl (E)-2-hexenoate
FL/FR
ethyl (E)-2-methyl-2-pentenoate
FL
ethyl (E)-2-octenoate
FL
ethyl 2-octenoate
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl heptanoate
FL/FR
ethyl hexanoate
FL/FR
ethyl isovalerate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
(E,E)-
ethyl sorbate
FL/FR
filbert hexenone
FL/FR
furfuryl isovalerate
FL
furfuryl valerate
FL
guava pineapple flavor
FL
heliotropyl isobutyrate
FL/FR
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
hexanal propylene glycol acetal
FL/FR
(Z)-3-
hexen-1-yl (E)-2-hexenoate
FL/FR
methionyl butyrate
FL
methyl (E)-2-octenoate
FL/FR
methyl 2-methyl valerate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
methyl isovalerate
FL/FR
methyl valerate
FL/FR
neryl isobutyrate
FL/FR
(Z)-5-
octen-1-yl acetate
FL
phenethyl isovalerate
FL/FR
prenyl acetate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
propyl butyrate
FL/FR
propyl formate
FL/FR
propyl hexanoate
FL/FR
black
raspberry essence
FL/FR
red
raspberry essence
FL/FR
ribes nigrum fruit extract
FL/FR
ribes rubrum fruit extract
FL/FR
rose butanoate
FL/FR
strawberry glycidate 2
FL/FR
strawberry infusions
FL/FR
styralyl butyrate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
vanilla carboxylate
FL/FR
green
acetaldehyde dihexyl acetal
FL/FR
iso
butyl 2-butenoate
FL/FR
iso
butyl isovalerate
FL/FR
clary sage absolute
FL/FR
3-
decen-2-one
FL/FR
geranyl isovalerate
FL/FR
(E)-2-
heptenal
FL
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(E)-2-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(E)-2-
hexenal diethyl acetal
FL
3-
hexenyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
hexyl isovalerate
FL/FR
methyl (E)-3-hexenoate
FL/FR
methyl heptadienone
FL/FR
papaya isobutyrate
FL/FR
(E)-2-
pentenal
FL/FR
phenethyl tiglate
FL/FR
herbal
barosma betulina leaf oil
FL/FR
jammy
maltyl isobutyrate
FL/FR
meaty
12-
methyl tridecanal
FL
minty
thiogeraniol
FL/FR
mushroom
methional diethyl acetal
FL
oily
3-
nonen-2-one
FL/FR
soapy
ambrettolide
FL/FR
sour
2,4-
dimethyl-2-pentenoic acid
FL
3-
methyl valeric acid
FL
2-
methyl-2-pentenoic acid
FL/FR
spicy
black
currant bud absolute
FL/FR
sulfurous
buchu mercaptan
FL/FR
sweet
acetone alcohol
FL
waxy
9-
decenoic acid
FL/FR
ethyl octanoate
FL/FR
phenethyl hexanoate
FL/FR
propyl heptanoate
FL/FR
whiskey
3-
methyl-1-pentanol
FL/FR
winey
valeraldehyde
FL/FR
woody
ambrette seed absolute
FL/FR
iso
bornyl isovalerate
FL/FR
beta-
ionone
FL/FR
 
Potential Uses:
FLapple green apple
FLcake
FLfruit punch
FLorange
FLpineapple
 
Occurrence (nature, food, other):note
 tamarillo fruit
Search Trop Picture
 
Synonyms:
 butyrylacetic acid ethyl ester
 ethyl 3-oxocaproate
 ethyl a-butyrylacetate
 ethyl alpha-butyryl acetate
 ethyl beta-ketohexanoate
 ethyl butanoylacetate
 ethyl butyroacetate
 ethyl butyryl acetate
 ethyl butyrylacetate
 ethyl-3-oxohexanoate
 green butyroacetate
3-keto-n-hexanoic acid ethyl ester
3-oxo-hexanoic acid ethyl ester
 hexanoic acid, 3-oxo-, ethyl ester
 
 
Notes:
Flavouring agent
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