acetyl isobutyryl
4-methyl-2,3-pentanedione
 
Notes:
Flavouring ingredient. Present in beer, malt, krill and coffee
  • BOC Sciences
    • BOC Sciences
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      Product(s):
      7493-58-5 2,3-Pentanedione,4-methyl-
       
  • CJ Latta & Associates
    • CJ Latta & Associates, LLC
      Extensive Line
      Aromatic Chemicals and Organic Acids.
      CJ Latta & Associates is a distributor of specialty aromatics and organic acids used in the formulation of flavors and fragrance manufactured worldwide. We pride ourselves on our reputation for, fair pricing, quality and reliability. We’ve built our business on successfully sourcing and developing many challenging specialty chemicals and fine ingredients for our clients.
      Email: Info
      US Email: Chip Latta
      Email: Sales
      US Email: Chip Latta
      Voice: (630) 240-8079
      Product(s):
      ACETYL ISO BUTYRYL
       
  • CSA
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    Flavor Demo Formulas
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
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.
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
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).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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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 CSA
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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
Synonyms   Articles   Notes   Search   Top
Safety in Use Information:
Category: flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
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: --
Synonyms   Articles   Notes   Search   Top
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
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References:
 4-methylpentane-2,3-dione
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 7493-58-5
Pubchem (cid): 24115
Pubchem (sid): 134987865
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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
HMDB (The Human Metabolome Database): HMDB31559
FooDB: FDB008172
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
No odor group found for these
 butter starter distillatesFL/FR
isovaleraldehyde diethyl acetalFL/FR
acidic
isobutyric acidFL/FR
2-methyl butyric acidFL/FR
aldehydic
 acetyl nonyrylFL/FR
almond
bitter almond oil replacerFL/FR
balsamic
 cinnamyl benzoateFL/FR
bready
 coffee furanoneFL/FR
buttery
 acetoinFL/FR
 acetoin dimerFL/FR
 acetoin propylene glycol acetalFL/FR
 acetyl butyrylFL/FR
 acetyl propionylFL/FR
 apple butter fragranceFR
 butter cream fragranceFR
 butter fragranceFR
 butter oil CO2 extractFL/FR
 butyl butyryl lactateFL/FR
isobutyl lactateFL/FR
 butyl octanoateFL/FR
2,3-heptane dioneFL/FR
3,4-hexane dioneFL/FR
caramellic
 butterscotch fragranceFR
2-oxobutyric acidFL/FR
alpha,alpha-dimethyl anisyl acetoneFL/FR
 levulinic acidFL/FR
 strawberry furanone acetateFL/FR
cheesy
 butyric acidFL/FR
2-methyl valeric acidFL/FR
cocoa
 cocoa butter fragranceFR
coconut
 coconut decanone methylFR
 coconut fragranceFR
 coconut specialtyFR
delta-decalactoneFL/FR
delta-2-dodecenolactoneFL/FR
delta-nonalactoneFL/FR
gamma-nonalactone (aldehyde C-18 (so-called))FL/FR
gamma-octalactoneFL/FR
delta-undecalactoneFL/FR
coumarinic
epsilon-decalactoneFL/FR
2,3-butane diolFR
 butyl lactateFL/FR
gamma-butyrolactoneFL/FR
 cream fragranceFR
 creamy lactoneFL/FR
 cyclotene propionateFL/FR
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
(Z)-gamma-jasmolactoneFR
delta-tridecalactoneFL/FR
para-vanillic acidFL/FR
para-vanillyl alcoholFL/FR
 waxy lactoneFL/FR
 milk fragranceFR
earthy
1-nonen-3-olFL/FR
ethereal
 decyl propionateFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
fatty
 allyl cyclohexyl hexanoateFL/FR
 butter estersFL/FR
 butyl undecylenateFL/FR
isobutyl undecylenateFL/FR
 coconut absoluteFL/FR
(Z)-dairy lactoneFL/FR
7-decen-4-olideFL/FR
(Z)-ethyl oleateFL/FR
 ethyl undecylenateFL/FR
delta-juniper lactoneFL/FR
4-methyl octanoic acidFL/FR
(Z)-3-octen-1-olFL/FR
fermented
 butyl laevo-lactateFL/FR
floral
para-anisyl butyrateFL/FR
 benzyl lactateFL/FR
 jasmin pyranoneFL/FR
 linalyl butyrateFL/FR
para-methyl acetophenoneFL/FR
fruity
 acetoin acetateFL/FR
1-acetoxyacetoneFL/FR
bitter almond oilFL/FR
isoamyl 2-methyl butyrateFL/FR
 amyl isobutyrateFL/FR
gamma-decalactoneFL/FR
(S)-delta-decalactoneFL/FR
gamma-dodecalactoneFL/FR
 ethyl lactateFL/FR
 farnesyl acetoneFL/FR
(E)-2-hepten-1-yl acetateFL/FR
 methyl (Z)-5-octenoateFL/FR
2-methyl butyl butyrateFL/FR
2-nonanoneFL/FR
 octyl butyrateFL/FR
 octyl heptanoateFL/FR
 prenyl isobutyrateFL/FR
 propylene glycol dibutyrate 
 sorbyl butyrateFL/FR
 strawberry furanone butyrateFL/FR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
2-undecanoneFL/FR
green
isobutyl benzyl carbinolFL/FR
3-heptanoneFL/FR
(Z)-4-hepten-1-olFL/FR
(Z)-4-heptenalFL/FR
(Z)-4-heptenal diethyl acetalFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(E,Z)-2,6-nonadienalFL/FR
 benzyl octanoateFL/FR
marine
 marine pyridineFR
melon
(Z)-6-nonen-1-yl acetateFL/FR
milky
laevo-glutamineCS
mushroom
(S)-(+)-2-octanol 
3-octen-2-olFL/FR
1-octen-3-yl butyrateFL/FR
nutty
2-ethyl pyrazineFL/FR
 filbert heptenoneFL/FR
(-)-(E,R)-filbertoneFL/FR
 hazelnut fragranceFR
oily
 butter acidsFL/FR
 petal pyranoneFL/FR
plastic
1-phenyl-1,2-propane dioneFL/FR
soapy
 ethyl undecanoateFL/FR
sweet
 vanilla oleoresin baliFL/FR
tonka
6-amyl-alpha-pyroneFL/FR
 mint lactoneFL/FR
tropical
delta-dodecalactoneFL/FR
 glyceryl 5-hydroxydecanoateFL/FR
 glyceryl 5-hydroxydodecanoateFL/FR
vanilla
ortho-dimethyl hydroquinoneFL/FR
 ethyl vanillinFL/FR
 ethyl vanillin isobutyrateFL/FR
 ethyl vanillin propylene glycol acetalFL/FR
 vanillinFL/FR
 vanillyl acetateFL/FR
 vanillyl isobutyrateFL/FR
 vanillylidene acetoneFL/FR
vegetable
 methionalFL/FR
waxy
 allyl nonanoateFL/FR
isoamyl decanoateFL/FR
isoamyl laurateFL/FR
9-decenoic acidFL/FR
5(6)-decenoic acidFL/FR
 ethyl palmitateFL/FR
2-methyl heptanoic acidFL/FR
 methyl laurateFL/FR
2-nonanolFL/FR
(E)-2-octen-1-yl butyrateFL/FR
 octyl 2-methyl butyrateFL/FR
 octyl isobutyrateFL/FR
 palmitic acidFR
 phenethyl octanoateFL/FR
delta-tetradecalactoneFL/FR
(E)-2-tridecenalFL/FR
 undecanoic acidFL/FR
 
For Flavor
 
No flavor group found for these
1-acetoxyacetoneFL/FR
 allyl cyclohexyl hexanoateFL/FR
 allyl methyl trisulfideFL
 amyl isobutyrateFL/FR
 benzyl lactateFL/FR
 benzyl octanoateFL/FR
 butter nut rum flavorFL
 butyl octanoateFL/FR
isobutyl undecylenateFL/FR
 cinnamyl benzoateFL/FR
 cyclotene propionateFL/FR
(S)-delta-decalactoneFL/FR
7-decen-4-olideFL/FR
6-decenoic acidFL
 decyl propionateFL/FR
alpha,alpha-dimethyl anisyl acetoneFL/FR
ortho-dimethyl hydroquinoneFL/FR
delta-2-dodecenolactoneFL/FR
 ethyl butyryl lactateFL
 farnesyl acetoneFL/FR
(E)-2-hepten-1-yl acetateFL/FR
3-(methyl thio) hexanalFL
3-methyl-2-cyclopenten-1-oneFL
4,5-octane dioneFL
(S)-(+)-2-octanol 
(E)-2-octen-1-yl butyrateFL/FR
 octyl heptanoateFL/FR
 prenyl isobutyrateFL/FR
 propylene glycol dibutyrate 
 sodium 4-methyl-2-oxovalerateFL
 valeraldehyde diethyl acetalFL
isovaleraldehyde diethyl acetalFL/FR
acidic
isobutyric acidFL/FR
 levulinic acidFL/FR
aldehydic
 acetyl nonyrylFL/FR
alliaceous
3-tetrahydrothiophenoneFL
almond
bitter almond oil replacerFL/FR
amber
isobutyl benzyl carbinolFL/FR
anisic
para-anisyl butyrateFL/FR
balsamic
 vanillylidene acetoneFL/FR
berry
 berries & cream flavorFL
 blueberry distillatesFL
bitter
 glyceryl tributyrateFL
brown
2-oxobutyric acidFL/FR
buttery
 acetoin propylene glycol acetalFL/FR
 apple butter flavorFL
 bovolideFL
 butter almond flavorFL
 butter brickle flavorFL
 butter cream frosting flavorFL
 butter crème flavorFL
 butter enhancersFL
 butter flavorFL
brown butter flavorFL
creamy butter flavorFL
sweet butter flavorFL
 butter honey flavorFL
 butter lemon flavorFL
 butter maple flavorFL
 butter nut vanilla flavorFL
 butter oil CO2 extractFL/FR
 butter onion garlic flavorFL
 butter pecan flavorFL
 butter praline flavorFL
 butter starter distillatesFL/FR
 butter toffee flavorFL
 butter vanilla nut flavorFL
isobutyl lactateFL/FR
 butyl laevo-lactateFL/FR
 butyroinFL
 diacetylFL
 ghee flavorFL
2,3-heptane dioneFL/FR
3,4-hexane dioneFL/FR
2-methyl valeric acidFL/FR
(E)-2-pentenoic acidFL
cabbage
 methyl 2-thiofuroateFL
caramellic
 butter caramel flavorFL
 butter rum toffee flavorFL
 butterscotch cream flavorFL
 butterscotch flavorFL
 butterscotch toffee flavorFL
3-methyl butyl 2-furyl butyrateFL
1-phenyl-1,2-propane dioneFL/FR
 strawberry furanone acetateFL/FR
cheesy
2-nonanoneFL/FR
chocolate
 chocolate blueberry flavorFL
 chocolate butter cream flavorFL
citrus
 butter lemon orange flavorFL
coconut
delta-decalactoneFL/FR
 massoia bark oil CO2 extractFL
(R)-massoia lactoneFL
6-methyl coumarinFL
gamma-nonalactone (aldehyde C-18 (so-called))FL/FR
creamy
 acetoinFL/FR
 acetoin butyrateFL
 acetyl butyrylFL/FR
 acetyl ethyl carbinolFL
6-amyl-alpha-pyroneFL/FR
 butter estersFL/FR
 butter fat enzyme modified with added butyric acidFL
 butyl butyryl lactateFL/FR
 cream enhancersFL
 creamy lactoneFL/FR
5(6)-decenoic acidFL/FR
5,5-dibutyl dihydrofuran-2(3H)-oneFL
 divanillinFL
delta-dodecalactoneFL/FR
 glyceryl 5-hydroxydecanoateFL/FR
 glyceryl 5-hydroxydodecanoateFL/FR
 jasmin pyranoneFL/FR
para-methyl acetophenoneFL/FR
 mint lactoneFL/FR
delta-nonalactoneFL/FR
 octyl isobutyrateFL/FR
delta-tridecalactoneFL/FR
delta-undecalactoneFL/FR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
para-vanillic acidFL/FR
para-vanillyl alcoholFL/FR
 waxy lactoneFL/FR
dairy
 acetoin dimerFL/FR
 buttermilk flavorFL
 butyl lactateFL/FR
 cream flavorFL
 methyl (Z)-5-octenoateFL/FR
 milk flavorFL
earthy
1-nonen-3-olFL/FR
fatty
isoamyl laurateFL/FR
 butter acidsFL/FR
 coconut absoluteFL/FR
(Z)-dairy lactoneFL/FR
 diacetyl trimerFL
(Z)-ethyl oleateFL/FR
 ethyl undecylenateFL/FR
delta-juniper lactoneFL/FR
4-methyl octanoic acidFL/FR
2,4-octadien-1-olFL
(Z)-3-octen-1-olFL/FR
(E,E)-2,4-undecadienalFL
2,4-undecadienalFL
floral
 linalyl butyrateFL/FR
fruity
 acetoin acetateFL/FR
 acetyl isovalerylFL
bitter almond oilFL/FR
 amaretto cream flavorFL
isoamyl 2-methyl butyrateFL/FR
 apple vanilla flavorFL
 apricot cream flavorFL
 banana berry flavorFL
 banana cream flavorFL
 banana custard flavorFL
 banana flavorFL
ripe banana flavorFL
 banana mango flavorFL
 banana peach flavorFL
 banana pineapple flavorFL
 banana split flavorFL
 berry banana flavorFL
 berry cream flavorFL
 blueberry cream flavorFL
 blueberry vanilla flavorFL
gamma-decalactoneFL/FR
gamma-dodecalactoneFL/FR
 ethyl lactateFL/FR
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
2-methyl butyl butyrateFL/FR
2-methyl butyric acidFL/FR
 phenethyl octanoateFL/FR
 sorbyl butyrateFL/FR
 strawberry furanone butyrateFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
green
 heptanal 2,3-butane diol acetalFL
(Z)-4-hepten-1-olFL/FR
(Z)-4-heptenalFL/FR
(Z)-4-heptenal diethyl acetalFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
3-(5-methyl-2-furyl) butanalFL
(E,Z)-2,6-nonadienalFL/FR
(Z)-6-nonen-1-yl acetateFL/FR
2,3-octane dioneFL
herbal
5-hydroxymethyl furfuralFL
ketonic
3-heptanoneFL/FR
lactonic
gamma-octalactoneFL/FR
milky
gamma-butyrolactoneFL/FR
mushroom
3-octen-2-olFL/FR
1-octen-3-yl butyrateFL/FR
nutty
 almond butter flavorFL
 banana nut flavorFL
 butter pecan cake flavorFL
 coffee furanoneFL/FR
2-ethyl pyrazineFL/FR
 filbert heptenoneFL/FR
(-)-(E,R)-filbertoneFL/FR
 hazelnut flavorFL
 hazelnut pasteFL
 macadamia nut flavorFL
oily
 petal pyranoneFL/FR
powdery
 powdery ketoneFL
sour
 butyric acidFL/FR
spicy
 benzylidene acetoneFL
spiced butter rum flavorFL
 cinnamon butter flavorFL
 cinnamon butter pecan flavorFL
 cinnamon nut butter rum flavorFL
 honey distillatesFL
 vanilla butter nut flavorFL
 vanilla oleoresin baliFL/FR
toasted
 acetyl propionylFL/FR
tomato
 methionalFL/FR
vanilla
 ethyl vanillinFL/FR
 ethyl vanillin isobutyrateFL/FR
 ethyl vanillin propylene glycol acetalFL/FR
 vanillinFL/FR
 vanillyl acetateFL/FR
 vanillyl isobutyrateFL/FR
waxy
 allyl nonanoateFL/FR
isoamyl decanoateFL/FR
 butyl undecylenateFL/FR
epsilon-decalactoneFL/FR
9-decenoic acidFL/FR
 ethyl palmitateFL/FR
 ethyl undecanoateFL/FR
2-methyl heptanoic acidFL/FR
 methyl laurateFL/FR
2-nonanolFL/FR
 octyl 2-furoateFL
 octyl 2-methyl butyrateFL/FR
 octyl butyrateFL/FR
delta-tetradecalactoneFL/FR
(E)-2-tridecenalFL/FR
 undecanoic acidFL/FR
2-undecanoneFL/FR
winey
5-ethyl-2-methyl pyridineFL
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 bananaFR
 butterFR
 butter rumFL
 cilantroFL/FR
 creamFR
 cream ice creamFL
 cream sour creamFL
 cumin oil replacerFR
 custardFL
 egg nogFL
 fatFL
 fat chicken fatFL
 gheeFL
 gingergrassFR
 nutFL
 rum butterFL
 soda cream sodaFL
 sweaty 
 tallowFL
 wool fat 
 yogurtFL
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Occurrence (nature, food, other): note
 coffee
Search  PMC Picture
 fish sauce
Search  PMC Picture
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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
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Synonyms   Articles   Notes   Search   Top
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