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

acetoin butyrate
butan-3-one-2-yl butanoate

Supplier Sponsors

Name:3-oxobutan-2-yl butanoate
CAS Number: 84642-61-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:283-438-7
FDA UNII:SEN8DCI58L
Nikkaji Web:J333.551H
MDL:MFCD00053090
CoE Number:10525
XlogP3-AA:1.10 (est)
Molecular Weight:158.19718000
Formula:C8 H14 O3
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
JECFA evaluated butan-3-one-2-yl butanoate (CASrn as in Register). (R)- or (S)-enantiomer not specified by CASrn in Register.
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:407 butan-3-one-2-yl butanoate
FLAVIS Number:09.264 (Old)
DG SANTE Food Flavourings:09.264 sec-butan-3-onyl butyrate
FEMA Number:3332 butan-3-one-2-yl butanoate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):84642-61-5 ; BUTAN-3-ONE-2-YL BUTANOATE
 
Physical Properties:
Appearance:colorless to yellow clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: Yes
Specific Gravity:0.97400 to 0.98400 @ 25.00 °C.
Pounds per Gallon - (est).: 8.105 to 8.188
Refractive Index:1.41200 to 1.42200 @ 20.00 °C.
Boiling Point: 77.00 °C. @ 30.00 mm Hg
Boiling Point: 76.00 °C. @ 11.00 mm Hg
Vapor Pressure:0.236000 mmHg @ 25.00 °C. (est)
Flash Point: 179.00 °F. TCC ( 81.67 °C. )
logP (o/w): 1.076 (est)
Shelf Life: 12.00 month(s) or longer if stored properly.
Storage:store in cool, dry place in tightly sealed containers, protected from heat and light.
Soluble in:
 alcohol
 fixed oils
 propylene glycol
 water, 6518 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
acetoin
acetoin acetate
acetoin propylene glycol acetal
 
Organoleptic Properties:
Odor Type: creamy
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
Substantivity:12 hour(s) at 100.00 %
fruity cheesy acetic creamy berry buttery
Odor Description:at 10.00 % in propylene glycol. fruity cheese acetic creamy dried berry butter
Luebke, William tgsc, (2009)
Odor sample from: Alfrebro LLC
creamy musty buttery
Odor Description:Creamy, musty and buttery
Mosciano, Gerard P&F 21, No. 1, 33, (1996)
Flavor Type: creamy
creamy custard
Taste Description: at 50.00 ppm. Creamy mouthfeel with creamy and custard-like notes
Mosciano, Gerard P&F 21, No. 1, 33, (1996)
Odor and/or flavor descriptions from others (if found).
Alfrebro
ACETOIN BUTYRATE NATURAL
Odor Description:Fruit, Cheese, Sweet, red Berry
 
Cosmetic Information:
None found
 
Suppliers:
Advanced Biotech
ACETOIN BUTYRATE NATURAL
97% min.
Odor: Fruity, Sweet
Alfrebro
ACETOIN BUTYRATE NATURAL
Odor: Fruit, Cheese, Sweet, red Berry
Alfrebro
ACETOIN BUTYRATE
Odor: Fruit, Cheese, red Berry
Beijing Lys Chemicals
Acetoin butyrate
BOC Sciences
For experimental / research use only.
Butanoic acid,1-methyl-2-oxopropyl ester
Carbosynth
For experimental / research use only.
Butan-3-one-2-yl butyrate
Endeavour Specialty Chemicals
Butan-3-one-2-yl butyrate F&F
Speciality Chemical Product Groups
M&U International
BUTAN-3-ONE-2-YL BUTANOATE, Kosher
Penta International
BUTAN-3-ONE-2-YL BUTANOATE NATURAL
Penta International
BUTAN-3-ONE-2-YL-BUTANOATE
R C Treatt & Co Ltd
Acetoin Butyrate
Kosher
Robinson Brothers
Butan-3-one-2-yl butanoate F&F
https://www.robinsonbrothers.uk/chemistry-competences
Sigma-Aldrich
Butan-3-one-2-yl butanoate, ≥98%, FCC, FG
Certified Food Grade Products
Synerzine
Butan-3-one-2-yl-butanoate
WholeChem
Acetoin butyrate
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 23 - Do not breath vapour.
S 24/25 - Avoid contact with skin and eyes.
 
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 > 8000 mg/kg
(Pellmont, 1969a)

oral-rat LD50 > 8000 mg/kg
(Pellmont, 1969a)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for acetoin butyrate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (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: 6
 average usual ppmaverage maximum ppm
baked goods: -75.00000
beverages(nonalcoholic): -5.00000
beverages(alcoholic): -25.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -25.00000
fruit ices: -25.00000
gelatins / puddings: -30.00000
granulated sugar: --
gravies: --
hard candy: -50.00000
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 :529253
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
3-oxobutan-2-yl butanoate
Chemidplus:0084642615
 
References:
 3-oxobutan-2-yl butanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:84642-61-5
Pubchem (cid):529253
Pubchem (sid):135311401
 
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):HMDB36230
FooDB:FDB015088
Export Tariff Code:2914.19.9090
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
acidic
acidic
iso
butyric acid
FL/FR
2-
ethyl butyric acid
FL/FR
2-
methyl butyric acid
FL/FR
aldehydic
acetyl nonyryl
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 isobutyryl
FL/FR
acetyl propionyl
FL/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
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-
heptanone
FL/FR
2-
methyl valeric acid
FL/FR
coconut
coconut decanone methyl
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
butyl lactate
FL/FR
gamma-
butyrolactone
FL/FR
creamy lactone
FL/FR
cyclotene propionate
FL/FR
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
delta-
tridecalactone
FL/FR
para-
vanillic acid
FL/FR
para-
vanillyl alcohol
FL/FR
waxy lactone
FL/FR
earthy
1-
nonen-3-ol
FL/FR
ethereal
iso
valeraldehyde propylene glycol acetal
FL/FR
fatty
butter esters
FL/FR
butyl undecylenate
FL/FR
(Z)-
dairy lactone
FL/FR
7-
decen-4-olide
FL/FR
ethyl undecylenate
FL/FR
delta-
juniper lactone
FL/FR
4-
methyl octanoic acid
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
fruity
acetoin acetate
FL/FR
1-
acetoxyacetone
FL/FR
amyl isobutyrate
FL/FR
(S)-delta-
decalactone
FL/FR
gamma-
decalactone
FL/FR
ethyl lactate
FL/FR
farnesyl acetone
FL/FR
4-
heptanone
FL/FR
methyl (Z)-5-octenoate
FL/FR
2-
methyl butyl butyrate
FL/FR
2-
nonanone
FL/FR
prenyl isobutyrate
FL/FR
sorbyl butyrate
FL/FR
strawberry furanone butyrate
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
green
iso
butyl benzyl carbinol
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
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
oily
butter acids
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
5(6)-
decenoic acid
FL/FR
ethyl palmitate
FL/FR
methyl laurate
FL/FR
2-
nonanol
FL/FR
(E)-2-
octen-1-yl butyrate
FL/FR
octyl isobutyrate
FL/FR
delta-
tetradecalactone
FL/FR
undecanoic acid
FL/FR
For Flavor
No flavor group found for these
1-
acetoxyacetone
FL/FR
allyl methyl trisulfide
FL
amyl isobutyrate
FL/FR
benzyl lactate
FL/FR
butter nut rum flavor
FL
butyl octanoate
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
alpha,alpha-
dimethyl anisyl acetone
FL/FR
ortho-
dimethyl hydroquinone
FL/FR
delta-2-
dodecenolactone
FL/FR
ethyl butyryl lactate
FL
ethyl cyclohexyl carboxylate
FL
farnesyl acetone
FL/FR
(Z)-3-
hexenoic acid
FL
3-(
methyl thio) hexanal
FL
4,5-
octane dione
FL
(E)-2-
octen-1-yl butyrate
FL/FR
prenyl isobutyrate
FL/FR
sodium 4-methyl-2-oxovalerate
FL
acidic
acidic
iso
butyric acid
FL/FR
2-
ethyl butyric acid
FL/FR
levulinic acid
FL/FR
aldehydic
acetyl nonyryl
FL/FR
alliaceous
3-
tetrahydrothiophenone
FL
amber
iso
butyl benzyl carbinol
FL/FR
anisic
para-
anisyl butyrate
FL/FR
balsamic
vanillylidene acetone
FL/FR
bitter
glyceryl tributyrate
FL
brown
2-oxo
butyric acid
FL/FR
buttery
acetoin propylene glycol acetal
FL/FR
bovolide
FL
butter cream frosting flavor
FL
butter enhancers
FL
butter flavor
FL
sweet
butter flavor
FL
creamy
butter flavor
FL
butter maple flavor
FL
butter nut vanilla flavor
FL
butter oil CO2 extract
FL/FR
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 rum toffee flavor
FL
3-
methyl butyl 2-furyl butyrate
FL
1-
phenyl-1,2-propane dione
FL/FR
strawberry furanone acetate
FL/FR
cheesy
ammonium isovalerate 30% in pg
FL
2-
heptanone
FL/FR
2-
nonanone
FL/FR
chocolate
chocolate butter cream flavor
FL
citrus
butter lemon orange flavor
FL
coconut
delta-
decalactone
FL/FR
(R)-
massoia lactone
FL
6-
methyl coumarin
FL
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
creamy
acetoin
FL/FR
acetyl butyryl
FL/FR
acetyl ethyl carbinol
FL
acetyl isobutyryl
FL/FR
6-
amyl-alpha-pyrone
FL/FR
butter esters
FL/FR
butter fat enzyme modified with added butyric acid
FL
butyl butyryl lactate
FL/FR
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
2-
methyl-4-pentenoic acid
FL
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
butyl lactate
FL/FR
methyl (Z)-5-octenoate
FL/FR
earthy
1-
nonen-3-ol
FL/FR
fatty
butter acids
FL/FR
(Z)-
dairy lactone
FL/FR
diacetyl trimer
FL
ethyl undecylenate
FL/FR
delta-
juniper lactone
FL/FR
4-
methyl octanoic acid
FL/FR
2,4-
octadien-1-ol
FL
2,4-
undecadienal
FL
(E,E)-2,4-
undecadienal
FL
floral
linalyl butyrate
FL/FR
fruity
acetoin acetate
FL/FR
acetyl isovaleryl
FL
gamma-
decalactone
FL/FR
ethyl lactate
FL/FR
4-
heptanone
FL/FR
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
2-
methyl butyl butyrate
FL/FR
2-
methyl butyric acid
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
(E,Z)-2,6-
nonadienal
FL/FR
2,3-
octane dione
FL
herbal
5-
hydroxymethyl furfural
FL
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
butter pecan cake flavor
FL
coffee furanone
FL/FR
2-
ethyl pyrazine
FL/FR
filbert heptenone
FL/FR
(-)-(E,R)-
filbertone
FL/FR
sour
butyric acid
FL/FR
spicy
benzylidene acetone
FL
spiced
butter rum 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
butyl undecylenate
FL/FR
epsilon-
decalactone
FL/FR
ethyl palmitate
FL/FR
ethyl undecanoate
FL/FR
methyl laurate
FL/FR
2-
nonanol
FL/FR
octyl 2-furoate
FL
delta-
tetradecalactone
FL/FR
undecanoic acid
FL/FR
winey
5-
ethyl-2-methyl pyridine
FL
 
Potential Uses:
FLcheese
FLcoconut
FRcoconut tropical coconut
FLcream
FLcream ice cream
FLcream sour cream
FLcustard
FLegg nog
FRfruit
FLhazelnut
FLnut
FLpeanut
FLpeanut butter
FLpecan
FLpina colada
FLsoda cream soda
FLwalnut
FLyogurt
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
 acetoin butanoate
 acetoin butyrate natural
 acetoyl butyrate
3-oxobutan-2-yl butanoate
3-oxobutan-2-yl butyrate
 butan-3-one-2-yl butanoate
 butan-3-one-2-yl butanoate FCC
 butan-3-one-2-yl butanoate, natural
 butan-3-one-2-yl butyrate
 butan-3-one-2-yl-butanoate
sec-butan-3-onyl butyrate
2-ketobutan-3-yl butanoate
 butanoic acid 1-methyl-2-oxopropyl ester
 butanoic acid, 1-methyl-2-oxopropyl ester
3-(butanoyloxy)-2-butanone
1-methyl-2-oxopropyl butyrate
 
 
Notes:
Flavouring ingredient
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