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

acetyl isobutyryl
4-methyl-2,3-pentanedione

Supplier Sponsors

Flavor Demo Formulas
Name:4-methylpentane-2,3-dione
CAS Number: 7493-58-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:231-328-4
FDA UNII:K372XXT72S
Nikkaji Web:J110.476D
CoE Number:2043
XlogP3-AA:0.60 (est)
Molecular Weight:114.14410000
Formula:C6 H10 O2
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and fragrance 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:411 4-methyl-2,3-pentanedione
FLAVIS Number:07.063 (Old)
DG SANTE Food Flavourings:07.063 4-methylpentane-2,3-dione
FEMA Number:2730 4-methyl-2,3-pentanedione
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):7493-58-5 ; 4-METHYL-2,3-PENTANEDIONE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
 
Physical Properties:
Appearance:pale yellow to yellow clear liquid (est)
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: -2.40 °C. @ 760.00 mm Hg
Boiling Point: 116.00 to 118.00 °C. @ 760.00 mm Hg
Vapor Pressure:17.084000 mmHg @ 25.00 °C. (est)
Flash Point: 84.00 °F. TCC ( 28.89 °C. )
logP (o/w): -0.477 (est)
Soluble in:
 alcohol
 water, 2.442e+005 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
acetyl butyryl
3-methylpentane-2,4-dione
 
Organoleptic Properties:
Odor Type: buttery
Odor Strength:high ,
recommend smelling in a 1.00 % solution or less
sweet fruity buttery creamy fatty
Odor Description:at 1.00 % in dipropylene glycol. sweet fruity buttery creamy fatty
sweet fruity buttery creamy brown fatty
Odor Description:Sweet, fruity, buttery, creamy, with a brown fatty nuance
Mosciano, Gerard P&F 17, No. 3, 57, (1992)
Flavor Type: creamy
sweet creamy fruity buttery cooked estery
Taste Description: at 80.00 ppm. Sweet, creamy, fruity, buttery, with a cooked estry nuance
Mosciano, Gerard P&F 17, No. 3, 57, (1992)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
2,3-Pentanedione,4-methyl-
CJ Latta & Associates
ACETYL ISO BUTYRYL
Parchem
acetyl isobutyryl
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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: flavor and fragrance agents
Recommendation for acetyl isobutyryl usage levels up to:
  0.1000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.30 (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: 3
Click here to view publication 3
 average usual ppmaverage maximum ppm
baked goods: -8.30000
beverages(nonalcoholic): -7.60000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -5.60000
fruit ices: -5.60000
gelatins / puddings: 1.2000018.00000
granulated sugar: --
gravies: --
hard candy: -6.20000
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) related to Flavouring Group Evaluation 11 (FGE.11): Aliphatic dialcohols, diketones, and hydroxyketones from chemical group 10 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 11, Revision 1 (FGE.11Rev1) - Aliphatic dialcohols, diketones, and hydroxyketones from chemical group 10 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :24115
National Institute of Allergy and Infectious Diseases:Data
4-methylpentane-2,3-dione
Chemidplus:0007493585
 
References:
 4-methylpentane-2,3-dione
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:7493-58-5
Pubchem (cid):24115
Pubchem (sid):134987865
 
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 Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB31559
FooDB:FDB008172
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
butter starter distillates
FL/FR
iso
valeraldehyde diethyl acetal
FL/FR
acidic
acidic
iso
butyric acid
FL/FR
2-
methyl butyric acid
FL/FR
aldehydic
acetyl nonyryl
FL/FR
almond
bitter
almond oil replacer
FL/FR
balsamic
cinnamyl benzoate
FL/FR
bready
coffee furanone
FL/FR
buttery
acetoin
FL/FR
acetoin dimer
FL/FR
acetoin propylene glycol acetal
FL/FR
acetyl butyryl
FL/FR
acetyl propionyl
FL/FR
apple butter fragrance
FR
butter cream fragrance
FR
butter fragrance
FR
butter oil CO2 extract
FL/FR
butyl butyryl lactate
FL/FR
iso
butyl lactate
FL/FR
butyl octanoate
FL/FR
2,3-
heptane dione
FL/FR
3,4-
hexane dione
FL/FR
caramellic
butterscotch fragrance
FR
2-oxo
butyric acid
FL/FR
alpha,alpha-
dimethyl anisyl acetone
FL/FR
levulinic acid
FL/FR
strawberry furanone acetate
FL/FR
cheesy
butyric acid
FL/FR
2-
methyl valeric acid
FL/FR
cocoa
cocoa butter fragrance
FR
coconut
coconut decanone methyl
FR
coconut fragrance
FR
coconut specialty
FR
delta-
decalactone
FL/FR
delta-2-
dodecenolactone
FL/FR
delta-
nonalactone
FL/FR
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
gamma-
octalactone
FL/FR
delta-
undecalactone
FL/FR
coumarinic
epsilon-
decalactone
FL/FR
creamy
2,3-
butane diol
FR
butyl lactate
FL/FR
gamma-
butyrolactone
FL/FR
cream fragrance
FR
creamy lactone
FL/FR
cyclotene propionate
FL/FR
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
(Z)-gamma-
jasmolactone
FR
delta-
tridecalactone
FL/FR
para-
vanillic acid
FL/FR
para-
vanillyl alcohol
FL/FR
waxy lactone
FL/FR
dairy
milk fragrance
FR
earthy
1-
nonen-3-ol
FL/FR
ethereal
decyl propionate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
fatty
allyl cyclohexyl hexanoate
FL/FR
butter esters
FL/FR
iso
butyl undecylenate
FL/FR
butyl undecylenate
FL/FR
coconut absolute
FL/FR
(Z)-
dairy lactone
FL/FR
7-
decen-4-olide
FL/FR
(Z)-
ethyl oleate
FL/FR
ethyl undecylenate
FL/FR
delta-
juniper lactone
FL/FR
4-
methyl octanoic acid
FL/FR
(Z)-3-
octen-1-ol
FL/FR
fermented
butyl laevo-lactate
FL/FR
floral
para-
anisyl butyrate
FL/FR
benzyl lactate
FL/FR
jasmin pyranone
FL/FR
linalyl butyrate
FL/FR
para-
methyl acetophenone
FL/FR
fruity
acetoin acetate
FL/FR
1-
acetoxyacetone
FL/FR
bitter
almond oil
FL/FR
iso
amyl 2-methyl butyrate
FL/FR
amyl isobutyrate
FL/FR
gamma-
decalactone
FL/FR
(S)-delta-
decalactone
FL/FR
gamma-
dodecalactone
FL/FR
ethyl lactate
FL/FR
farnesyl acetone
FL/FR
(E)-2-
hepten-1-yl acetate
FL/FR
methyl (Z)-5-octenoate
FL/FR
2-
methyl butyl butyrate
FL/FR
2-
nonanone
FL/FR
octyl butyrate
FL/FR
octyl heptanoate
FL/FR
prenyl isobutyrate
FL/FR
sorbyl butyrate
FL/FR
strawberry furanone butyrate
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
2-
undecanone
FL/FR
green
iso
butyl benzyl carbinol
FL/FR
3-
heptanone
FL/FR
(Z)-4-
hepten-1-ol
FL/FR
(Z)-4-
heptenal
FL/FR
(Z)-4-
heptenal diethyl acetal
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(E,Z)-2,6-
nonadienal
FL/FR
herbal
benzyl octanoate
FL/FR
marine
marine pyridine
FR
melon
(Z)-6-
nonen-1-yl acetate
FL/FR
milky
laevo-
glutamine
CS
mushroom
3-
octen-2-ol
FL/FR
1-
octen-3-yl butyrate
FL/FR
nutty
2-
ethyl pyrazine
FL/FR
filbert heptenone
FL/FR
(-)-(E,R)-
filbertone
FL/FR
hazelnut fragrance
FR
oily
butter acids
FL/FR
petal pyranone
FL/FR
plastic
1-
phenyl-1,2-propane dione
FL/FR
soapy
ethyl undecanoate
FL/FR
sweet
vanilla oleoresin bali
FL/FR
tonka
6-
amyl-alpha-pyrone
FL/FR
mint lactone
FL/FR
tropical
delta-
dodecalactone
FL/FR
glyceryl 5-hydroxydecanoate
FL/FR
glyceryl 5-hydroxydodecanoate
FL/FR
vanilla
ortho-
dimethyl hydroquinone
FL/FR
ethyl vanillin
FL/FR
ethyl vanillin isobutyrate
FL/FR
ethyl vanillin propylene glycol acetal
FL/FR
vanillin
FL/FR
vanillyl acetate
FL/FR
vanillyl isobutyrate
FL/FR
vanillylidene acetone
FL/FR
vegetable
methional
FL/FR
waxy
allyl nonanoate
FL/FR
iso
amyl decanoate
FL/FR
iso
amyl laurate
FL/FR
5(6)-
decenoic acid
FL/FR
9-
decenoic acid
FL/FR
ethyl palmitate
FL/FR
2-
methyl heptanoic acid
FL/FR
methyl laurate
FL/FR
2-
nonanol
FL/FR
(E)-2-
octen-1-yl butyrate
FL/FR
octyl 2-methyl butyrate
FL/FR
octyl isobutyrate
FL/FR
palmitic acid
FR
phenethyl octanoate
FL/FR
delta-
tetradecalactone
FL/FR
(E)-2-
tridecenal
FL/FR
undecanoic acid
FL/FR
For Flavor
No flavor group found for these
1-
acetoxyacetone
FL/FR
allyl cyclohexyl hexanoate
FL/FR
allyl methyl trisulfide
FL
amyl isobutyrate
FL/FR
benzyl lactate
FL/FR
benzyl octanoate
FL/FR
butter nut rum flavor
FL
butyl octanoate
FL/FR
iso
butyl undecylenate
FL/FR
cinnamyl benzoate
FL/FR
cyclotene propionate
FL/FR
(S)-delta-
decalactone
FL/FR
7-
decen-4-olide
FL/FR
6-
decenoic acid
FL
decyl propionate
FL/FR
alpha,alpha-
dimethyl anisyl acetone
FL/FR
ortho-
dimethyl hydroquinone
FL/FR
delta-2-
dodecenolactone
FL/FR
ethyl butyryl lactate
FL
farnesyl acetone
FL/FR
(E)-2-
hepten-1-yl acetate
FL/FR
3-(
methyl thio) hexanal
FL
3-
methyl-2-cyclopenten-1-one
FL
4,5-
octane dione
FL
(E)-2-
octen-1-yl butyrate
FL/FR
octyl heptanoate
FL/FR
prenyl isobutyrate
FL/FR
sodium 4-methyl-2-oxovalerate
FL
valeraldehyde diethyl acetal
FL
iso
valeraldehyde diethyl acetal
FL/FR
acidic
acidic
iso
butyric acid
FL/FR
levulinic acid
FL/FR
aldehydic
acetyl nonyryl
FL/FR
alliaceous
3-
tetrahydrothiophenone
FL
almond
bitter
almond oil replacer
FL/FR
amber
iso
butyl benzyl carbinol
FL/FR
anisic
para-
anisyl butyrate
FL/FR
balsamic
vanillylidene acetone
FL/FR
berry
berries & cream flavor
FL
blueberry distillates
FL
bitter
glyceryl tributyrate
FL
brown
2-oxo
butyric acid
FL/FR
buttery
acetoin propylene glycol acetal
FL/FR
apple butter flavor
FL
bovolide
FL
butter almond flavor
FL
butter brickle flavor
FL
butter cream frosting flavor
FL
butter crème flavor
FL
butter enhancers
FL
creamy
butter flavor
FL
sweet
butter flavor
FL
butter flavor
FL
brown
butter flavor
FL
butter honey flavor
FL
butter lemon flavor
FL
butter maple flavor
FL
butter nut vanilla flavor
FL
butter oil CO2 extract
FL/FR
butter onion garlic flavor
FL
butter pecan flavor
FL
butter praline flavor
FL
butter starter distillates
FL/FR
butter toffee flavor
FL
butter vanilla nut flavor
FL
iso
butyl lactate
FL/FR
butyl laevo-lactate
FL/FR
butyroin
FL
diacetyl
FL
ghee flavor
FL
2,3-
heptane dione
FL/FR
3,4-
hexane dione
FL/FR
2-
methyl valeric acid
FL/FR
(E)-2-
pentenoic acid
FL
cabbage
methyl 2-thiofuroate
FL
caramellic
butter caramel flavor
FL
butter rum toffee flavor
FL
butterscotch cream flavor
FL
butterscotch flavor
FL
butterscotch toffee flavor
FL
3-
methyl butyl 2-furyl butyrate
FL
1-
phenyl-1,2-propane dione
FL/FR
strawberry furanone acetate
FL/FR
cheesy
2-
nonanone
FL/FR
chocolate
chocolate blueberry flavor
FL
chocolate butter cream flavor
FL
citrus
butter lemon orange flavor
FL
coconut
delta-
decalactone
FL/FR
massoia bark oil CO2 extract
FL
(R)-
massoia lactone
FL
6-
methyl coumarin
FL
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
creamy
acetoin
FL/FR
acetoin butyrate
FL
acetyl butyryl
FL/FR
acetyl ethyl carbinol
FL
6-
amyl-alpha-pyrone
FL/FR
butter esters
FL/FR
butter fat enzyme modified with added butyric acid
FL
butyl butyryl lactate
FL/FR
cream enhancers
FL
creamy lactone
FL/FR
5(6)-
decenoic acid
FL/FR
5,5-
dibutyl dihydrofuran-2(3H)-one
FL
divanillin
FL
delta-
dodecalactone
FL/FR
glyceryl 5-hydroxydecanoate
FL/FR
glyceryl 5-hydroxydodecanoate
FL/FR
jasmin pyranone
FL/FR
para-
methyl acetophenone
FL/FR
mint lactone
FL/FR
delta-
nonalactone
FL/FR
octyl isobutyrate
FL/FR
delta-
tridecalactone
FL/FR
delta-
undecalactone
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
para-
vanillic acid
FL/FR
para-
vanillyl alcohol
FL/FR
waxy lactone
FL/FR
dairy
acetoin dimer
FL/FR
buttermilk flavor
FL
butyl lactate
FL/FR
cream flavor
FL
methyl (Z)-5-octenoate
FL/FR
milk flavor
FL
earthy
1-
nonen-3-ol
FL/FR
fatty
iso
amyl laurate
FL/FR
butter acids
FL/FR
coconut absolute
FL/FR
(Z)-
dairy lactone
FL/FR
diacetyl trimer
FL
(Z)-
ethyl oleate
FL/FR
ethyl undecylenate
FL/FR
delta-
juniper lactone
FL/FR
4-
methyl octanoic acid
FL/FR
2,4-
octadien-1-ol
FL
(Z)-3-
octen-1-ol
FL/FR
2,4-
undecadienal
FL
(E,E)-2,4-
undecadienal
FL
floral
linalyl butyrate
FL/FR
fruity
acetoin acetate
FL/FR
acetyl isovaleryl
FL
bitter
almond oil
FL/FR
amaretto cream flavor
FL
iso
amyl 2-methyl butyrate
FL/FR
apple vanilla flavor
FL
apricot cream flavor
FL
banana berry flavor
FL
banana cream flavor
FL
banana custard flavor
FL
banana flavor
FL
ripe
banana flavor
FL
banana mango flavor
FL
banana peach flavor
FL
banana pineapple flavor
FL
banana split flavor
FL
berry banana flavor
FL
berry cream flavor
FL
blueberry cream flavor
FL
blueberry vanilla flavor
FL
gamma-
decalactone
FL/FR
gamma-
dodecalactone
FL/FR
ethyl lactate
FL/FR
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
2-
methyl butyl butyrate
FL/FR
2-
methyl butyric acid
FL/FR
phenethyl octanoate
FL/FR
sorbyl butyrate
FL/FR
strawberry furanone butyrate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
green
heptanal 2,3-butane diol acetal
FL
(Z)-4-
hepten-1-ol
FL/FR
(Z)-4-
heptenal
FL/FR
(Z)-4-
heptenal diethyl acetal
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
3-(5-
methyl-2-furyl) butanal
FL
(E,Z)-2,6-
nonadienal
FL/FR
(Z)-6-
nonen-1-yl acetate
FL/FR
2,3-
octane dione
FL
herbal
5-
hydroxymethyl furfural
FL
ketonic
3-
heptanone
FL/FR
lactonic
gamma-
octalactone
FL/FR
milky
gamma-
butyrolactone
FL/FR
mushroom
3-
octen-2-ol
FL/FR
1-
octen-3-yl butyrate
FL/FR
nutty
almond butter flavor
FL
banana nut flavor
FL
butter pecan cake flavor
FL
coffee furanone
FL/FR
2-
ethyl pyrazine
FL/FR
filbert heptenone
FL/FR
(-)-(E,R)-
filbertone
FL/FR
hazelnut flavor
FL
hazelnut paste
FL
macadamia nut flavor
FL
oily
petal pyranone
FL/FR
powdery
powdery ketone
FL
sour
butyric acid
FL/FR
spicy
benzylidene acetone
FL
spiced
butter rum flavor
FL
cinnamon butter flavor
FL
cinnamon butter pecan flavor
FL
cinnamon nut butter rum flavor
FL
sweet
honey distillates
FL
vanilla butter nut flavor
FL
vanilla oleoresin bali
FL/FR
toasted
acetyl propionyl
FL/FR
tomato
methional
FL/FR
vanilla
ethyl vanillin
FL/FR
ethyl vanillin isobutyrate
FL/FR
ethyl vanillin propylene glycol acetal
FL/FR
vanillin
FL/FR
vanillyl acetate
FL/FR
vanillyl isobutyrate
FL/FR
waxy
allyl nonanoate
FL/FR
iso
amyl decanoate
FL/FR
butyl undecylenate
FL/FR
epsilon-
decalactone
FL/FR
9-
decenoic acid
FL/FR
ethyl palmitate
FL/FR
ethyl undecanoate
FL/FR
2-
methyl heptanoic acid
FL/FR
methyl laurate
FL/FR
2-
nonanol
FL/FR
octyl 2-furoate
FL
octyl 2-methyl butyrate
FL/FR
octyl butyrate
FL/FR
delta-
tetradecalactone
FL/FR
(E)-2-
tridecenal
FL/FR
undecanoic acid
FL/FR
2-
undecanone
FL/FR
winey
5-
ethyl-2-methyl pyridine
FL
 
Potential Uses:
FRbanana
FRbutter
FLbutter rum
FL/FRcilantro
FRcream
FLcream ice cream
FLcream sour cream
FRcumin oil replacer
FLcustard
FLegg nog
FLfat
FLfat chicken fat
FLghee
FRgingergrass
FLnut
FLrum butter
FLsoda cream soda
 sweaty
FLtallow
 wool fat
FLyogurt
 
Occurrence (nature, food, other):note
 coffee
Search PMC Picture
 fish sauce
Search PMC Picture
 
Synonyms:
 acetyl isobutyryl
 acetylisobutyryl
 methyl isopropyl diketone
4-methyl pentane-2,3-dione
4-methyl-2,3-pentane dione
4-methyl-2,3-pentanedione
4-methylpentane-2,3-dione
2,3-pentanedione, 4-methyl-
isopropyl methyl diketone
 
 
Notes:
Flavouring ingredient. Present in beer, malt, krill and coffee
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