3-methyl butyl 2-furyl butyrate
isoamyl 4(2-furan)butyrate
 
Notes:
Flavouring ingredient
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3-methylbutyl 4-(furan-2-yl)butanoate (Click)
CAS Number: 7779-66-0Picture of molecule
FDA UNII: 37NU54C63L
Nikkaji Web: J1.536.553F
CoE Number: 2080
XlogP3-AA: 3.20 (est)
Molecular Weight: 224.30000000
Formula: C13 H20 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
JECFA Food Flavoring: 1516  isoamyl 4(2-furan)butyrate
Flavis Number: 13.021 (Old)
DG SANTE Food Flavourings: 13.021  isopentyl 4-(2-furan)butyrate
FEMA Number: 2070  isoamyl 4(2-furan)butyrate
FDA Mainterm: ISOAMYL 4-(2-FURAN)BUTYRATE
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.
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Physical Properties:
Appearance: pale yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.97500 to 0.98100 @  25.00 °C.
Pounds per Gallon - (est).: 8.113 to  8.163
Refractive Index: 1.55100 to 1.55500 @  20.00 °C.
Boiling Point: 263.00 to  265.00 °C. @ 760.00 mm Hg
Soluble in:
 alcohol
 water, 6.629 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: buttery
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 sweet  buttery  fruity  caramellic  
Odor Description:
at 10.00 % in dipropylene glycol. 
sweet butter fruity caramel
 sweet  caramellic  
Taste Description:
sweet caramel like
  
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Cosmetic Information:
None found
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Suppliers:
Parchem
3-Methyl Butyl 2-furyl Butyrate
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
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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
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Safety in Use Information:
Category: flavoring agents
Recommendation for 3-methyl butyl 2-furyl butyrate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.24 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.09 (μg/capita/day)
Structure Class: III
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: 0.500008.00000
beverages(nonalcoholic): 0.030005.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.80000
fruit ices: -2.80000
gelatins / puddings: -5.00000
granulated sugar: --
gravies: --
hard candy: -6.00000
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: --
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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):
Flavouring Group Evaluation 67 (FGE.67): Consideration of 40 furan-substituted aliphatic hydrocarbons, alcohols, aldehydes, ketones, carboxylic acids and related esters, sulfides, disulfides and ethers evaluated by JECFA at the 65th meeting (JECFA, 2006b) and re-evaluated at the 69th meeting (JECFA, 2009c)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 67, Revision 1 (FGE.67Rev.1): Consideration of 40 furan-substituted aliphatic hydrocarbons, alcohols, aldehydes, ketones, carboxylic acids and related esters, sulfides, disulfides and ethers evaluated by JECFA at the 65th meeting (JECFA, 2006b) and re-evaluated at the 69th meeting (JECFA, 2009c)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 67 Revision 2 (FGE.67Rev2): Consideration of 28 furan-substituted compounds evaluated by JECFA at the 55th, 65th and 69th meetings (JECFA, 2001, 2006a, 2009b)
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 68968644
National Institute of Allergy and Infectious Diseases: Data
 3-methylbutyl 4-(furan-2-yl)butanoate
Chemidplus: 0007779660
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References:
 3-methylbutyl 4-(furan-2-yl)butanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 7779-66-0
Pubchem (cid): 68968644
Pubchem (sid): 135316626
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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): HMDB37736
FooDB: FDB016866
Export Tariff Code: 2932.19.0000
EFSA Update of results on the monitoring of furan levels in food: Read Report
EFSA Previous report: Results on the monitoring of furan levels in food: Read Report
EFSA Report of the CONTAM Panel on provisional findings on furan in food: Read Report
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
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Potential Blenders and core components note
 
For Odor
acidic
acidic
isobutyric acidFL/FR
 cyclohexyl acetic acidFL/FR
balsamic
2-acetyl furanFL/FR
 cinnamyl benzoateFL/FR
bready
 coffee furanoneFL/FR
buttery
 acetoinFL/FR
 acetyl butyrylFL/FR
 acetyl isobutyrylFL/FR
 acetyl propionylFL/FR
 butyl butyryl lactateFL/FR
isobutyl lactateFL/FR
 butyl octanoateFL/FR
2,3-heptane dioneFL/FR
3,4-hexane dioneFL/FR
2-oxobutyric acidFL/FR
 caramel furanone solutionFL/FR
 caramel pentadioneFL/FR
 coffee dioneFL/FR
 cycloteneFL/FR
 cyclotene hydrateFL/FR
alpha,alpha-dimethyl anisyl acetoneFL/FR
 ethyl 2-hydroxy-2-methyl butyrateFL/FR
 ethyl cyclopentenoloneFL/FR
 ethyl furaneolFL/FR
 ethyl maltolFL/FR
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-oneFL/FR
 fenugreek absoluteFL/FR
 geranyl crotonateFR
 immortelle absoluteFL/FR
 maltolFL/FR
 maltyl propionateFL/FR
 maple furanoneFL/FR
 menthone lactoneFL/FR
 mesitene lactoneFR
5-methyl furfuralFL/FR
 rosefuranFL/FR
 shoyu furanoneFL/FR
 strawberry furanoneFL/FR
 strawberry furanone acetateFL/FR
 strawberry furanone solutionFL/FR
 toffee furanoneFL/FR
cheesy
 butyric acidFL/FR
gamma-heptalactoneFL/FR
gamma-nonalactone (aldehyde C-18 (so-called))FL/FR
coumarinic
 tonka bean resinoidFR
creamy
gamma-butyrolactoneFL/FR
 waxy lactoneFL/FR
ethereal
 ethyl 4-pentenoateFL/FR
 ethyl pyruvateFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
fatty
 butyl undecylenateFL/FR
3-decen-2-oneFL/FR
fermented
 ethyl (E)-2-crotonateFL/FR
floral
 benzyl lactateFL/FR
gamma-damasconeFR
alpha-damasconeFL/FR
 jasmin pyranoneFL/FR
 linalyl butyrateFL/FR
 methyl citronellateFL/FR
fruity
 acetoin acetateFL/FR
1-acetoxyacetoneFL/FR
 amyl 2-methyl butyrateFL/FR
 amyl isobutyrateFL/FR
 amyl isovalerateFL/FR
isoamyl valerateFL/FR
 apple ketalFL/FR
 benzyl isovalerateFL/FR
 benzyl propionateFL/FR
 butyl isovalerateFL/FR
isobutyl isovalerateFL/FR
 cyclohexyl butyrateFL/FR
 cyclohexyl isovalerateFL/FR
gamma-decalactoneFL/FR
 ethyl isovalerateFL/FR
 ethyl lactateFL/FR
(E)-ethyl tiglateFL/FR
 ethyl valerateFL/FR
 fruity ketalFL/FR
 geranyl 2-methyl butyrateFL/FR
 geranyl isovalerateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(Z)-3-hexenal dimethyl acetal 
 hexyl formateFL/FR
 methyl butyrateFL/FR
 methyl isovalerateFL/FR
 methyl valerateFL/FR
 nonyl isovalerateFL/FR
 prenyl isobutyrateFL/FR
 propyl heptanoateFL/FR
isopropyl isovalerateFL/FR
 propyl isovalerateFL/FR
 tetrahydrofurfuryl acetateFL/FR
green
isoamyl 3-(2-furan) propionateFL/FR
 butyl heptanoateFL/FR
(Z)-4-heptenalFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexenal diethyl acetalFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
(E)-2-pentenalFL/FR
herbal
 butyl levulinateFL/FR
mushroom
1-octen-3-yl butyrateFL/FR
musty
3-acetyl-2,5-dimethyl furanFL/FR
nutty
2-acetyl-3,5(or 6)-dimethyl pyrazineFL/FR
2,3-dimethyl pyrazineFL/FR
2-ethyl pyrazineFL/FR
 nutty cyclohexenoneFL/FR
phenolic
4-methyl-2,6-dimethoxyphenolFL/FR
soapy
 ethyl undecanoateFL/FR
(E)-propyl 2-furan acrylateFL/FR
(E)-tiglic acidFL/FR
sweet
 vanilla oleoresin baliFL/FR
 vanilla oleoresin bourbonFL/FR
tonka
 tonka bean absoluteFR
tropical
delta-dodecalactoneFL/FR
vanilla
 ethyl vanillinFL/FR
 vanillyl isobutyrateFL/FR
vegetable
 tetrahydrofurfuryl alcoholFL/FR
waxy
 ethyl decanoateFL/FR
2-methyl heptanoic acidFL/FR
woody
 marine formateFR
 
For Flavor
 
No flavor group found for these
1-acetoxyacetoneFL/FR
2-acetyl-3,4,5,6-tetrahydropyridineFL
 allyl 2-furoateFL
 amyl 2-methyl butyrateFL/FR
 amyl isobutyrateFL/FR
 amyl isovalerateFL/FR
 apple ketalFL/FR
 benzyl disulfideFL
 benzyl lactateFL/FR
 butyl octanoateFL/FR
isobutyric acidFL/FR
 cinnamyl benzoateFL/FR
 cyclohexyl butyrateFL/FR
6-decenoic acidFL
2,5-diethyl tetrahydrofuranFL
alpha,alpha-dimethyl anisyl acetoneFL/FR
 ethyl 2-hydroxy-2-methyl butyrateFL/FR
 ethyl 4-pentenoateFL/FR
 ethyl butyryl lactateFL
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-oneFL/FR
 fruity ketalFL/FR
 furfuryl acetoneFL
 geranyl 2-methyl butyrateFL/FR
 heptyl 2-methyl butyrateFL
(Z)-3-hexenal diethyl acetalFL/FR
(Z)-3-hexenal dimethyl acetal 
(E)-2-hexenal dimethyl acetalFL
 hexyl formateFL/FR
 mango furanoneFL
 menthone lactoneFL/FR
3-(methyl thio) hexanalFL
 nonyl isovalerateFL/FR
 prenyl isobutyrateFL/FR
isopropyl isovalerateFL/FR
 propyl isovalerateFL/FR
 rosefuranFL/FR
 sodium 4-methyl-2-oxovalerateFL
 strawberry furanone ethyl etherFL
 toffee furanoneFL/FR
isoamyl 3-(2-furan) propionateFL/FR
alliaceous
3-tetrahydrothiophenoneFL
brown
2-oxobutyric acidFL/FR
5-methyl furfuralFL/FR
 tetrahydrofurfuryl acetateFL/FR
(E)-tiglic acidFL/FR
burnt
 furfuryl alcoholFL
buttery
isobutyl lactateFL/FR
 butyroinFL
 diacetylFL
2,3-heptane dioneFL/FR
3,4-hexane dioneFL/FR
(E)-2-pentenoic acidFL
caramellic
 caramel furanoneFL
 caramel furanone solutionFL/FR
 caramel pentadioneFL/FR
 cycloteneFL/FR
 cyclotene hydrateFL/FR
 ethyl furaneolFL/FR
 ethyl maltolFL/FR
5-ethyl-3,4,5,6-tetramethyl cyclohexen-2-oneFL
 fenugreek absoluteFL/FR
 lucuma flavorFL
 maltolFL/FR
 maltyl propionateFL/FR
 maple furanoneFL/FR
 pyruvaldehydeFL
 shoyu furanoneFL/FR
 strawberry furanoneFL/FR
 strawberry furanone acetateFL/FR
 strawberry furanone solutionFL/FR
coconut
 butyl heptanoateFL/FR
gamma-nonalactone (aldehyde C-18 (so-called))FL/FR
coffee
 coffee dioneFL/FR
2-thiophene thiolFL
creamy
 acetoinFL/FR
 acetyl butyrylFL/FR
 acetyl isobutyrylFL/FR
 butyl butyryl lactateFL/FR
5,5-dibutyl dihydrofuran-2(3H)-oneFL
delta-dodecalactoneFL/FR
 jasmin pyranoneFL/FR
 waxy lactoneFL/FR
fatty
 butyl undecylenateFL/FR
 diacetyl trimerFL
2,4-undecadienalFL
(E,E)-2,4-undecadienalFL
floral
 linalyl butyrateFL/FR
 methyl citronellateFL/FR
fruity
 acetoin acetateFL/FR
 acetyl isovalerylFL
isoamyl valerateFL/FR
 benzyl isovalerateFL/FR
 benzyl propionateFL/FR
 butyl isovalerateFL/FR
 cyclohexyl isovalerateFL/FR
alpha-damasconeFL/FR
gamma-decalactoneFL/FR
 ethyl isovalerateFL/FR
 ethyl lactateFL/FR
(E)-ethyl tiglateFL/FR
 ethyl valerateFL/FR
 furfuryl valerateFL
(Z)-3-hexen-1-yl isobutyrateFL/FR
 methyl isovalerateFL/FR
 methyl valerateFL/FR
2-pentanoyl furanFL
(E)-propyl 2-furan acrylateFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
fusel
 methyl butyrateFL/FR
green
isobutyl isovalerateFL/FR
3-decen-2-oneFL/FR
2-furyl acetoneFL
 geranyl isovalerateFL/FR
(Z)-4-heptenalFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 immortelle absoluteFL/FR
(E)-2-pentenalFL/FR
herbal
 butyl levulinateFL/FR
5-hydroxymethyl furfuralFL
jammy
 ethyl cyclopentenoloneFL/FR
lactonic
gamma-heptalactoneFL/FR
milky
gamma-butyrolactoneFL/FR
mushroom
1-octen-3-yl butyrateFL/FR
musty
2,3-dimethyl pyrazineFL/FR
 ethyl (E)-2-crotonateFL/FR
nutty
2-acetyl furanFL/FR
3-acetyl-2,5-dimethyl furanFL/FR
2-acetyl-3,5(or 6)-dimethyl pyrazineFL/FR
 coffee furanoneFL/FR
2-ethyl pyrazineFL/FR
 nutty cyclohexenoneFL/FR
 peanut oxazoleFL
 tetrahydrofurfuryl alcoholFL/FR
phenolic
4-methyl-2,6-dimethoxyphenolFL/FR
rummy
 ethyl pyruvateFL/FR
sour
 butyric acidFL/FR
sweet
 caramel dioneFL
 cyclohexyl acetic acidFL/FR
 molasses flavorFL
 vanilla oleoresin baliFL/FR
 vanilla oleoresin bourbonFL/FR
toasted
 acetyl propionylFL/FR
vanilla
 ethyl vanillinFL/FR
 vanillyl isobutyrateFL/FR
waxy
 ethyl decanoateFL/FR
 ethyl undecanoateFL/FR
 furfuryl octanoateFL
2-methyl heptanoic acidFL/FR
 propyl heptanoateFL/FR
 
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Potential Uses:
 butterFL
 caramelFL
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
isoamyl 2-furan butyrate
isoamyl 4(2-furan) butyrate
isoamyl 4(2-furan)butyrate
alpha-isoamyl furfuryl propionate
3-methyl butyl 2-furan butanoate
3-methyl butyl 2-furan butyrate
3-methylbutyl 2-furanbutanoate
3-methylbutyl 2-furanbutyrate
3-methylbutyl 2-furylbutyrate
3-methylbutyl 4-(furan-2-yl)butanoate
isopentyl 2-furan butyrate
isopentyl 4-(2-furan)butyrate
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