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

3-methyl butyl 2-furyl butyrate
isoamyl 4(2-furan)butyrate

Sponsors

Name:3-methylbutyl 4-(furan-2-yl)butanoate
CAS Number: 7779-66-0Picture of molecule3D/inchi
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.
 
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
 
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
Flavor Type: caramellic
">sweet caramellic
Taste Description: sweet caramel like
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
3-Methyl Butyl 2-furyl Butyrate
Parchem
3-Methyl Butyl 2-furyl Butyrate
Synerzine
isoamyl-4(2-furan) butyrate
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: 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
 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: --
 
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
 
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
 
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
 
Potential Blenders and core components note
For Odor
caramellic
geranyl crotonate
FR
mesitene lactone
FR
coumarinic
tonka bean resinoid
FR
floral
gamma-
damascone
FR
tonka
tonka bean absolute
FR
woody
marine formate
FR
For Flavor
No flavor group found for these
2-
acetyl-3,4,5,6-tetrahydropyridine
FL
allyl 2-furoate
FL
benzyl disulfide
FL
6-
decenoic acid
FL
2,5-
diethyl tetrahydrofuran
FL
ethyl butyryl lactate
FL
furfuryl acetone
FL
heptyl 2-methyl butyrate
FL
(E)-2-
hexenal dimethyl acetal
FL
mango furanone
FL
3-(
methyl thio) hexanal
FL
sodium 4-methyl-2-oxovalerate
FL
strawberry furanone ethyl ether
FL
alliaceous
alliaceous
3-
tetrahydrothiophenone
FL
burnt
furfuryl alcohol
FL
buttery
butyroin
FL
diacetyl
FL
(E)-2-
pentenoic acid
FL
caramellic
caramel furanone
FL
5-
ethyl-3,4,5,6-tetramethyl cyclohexen-2-one
FL
lucuma flavor
FL
pyruvaldehyde
FL
coffee
2-
thiophene thiol
FL
creamy
5,5-
dibutyl dihydrofuran-2(3H)-one
FL
fatty
diacetyl trimer
FL
2,4-
undecadienal
FL
(E,E)-2,4-
undecadienal
FL
fruity
acetyl isovaleryl
FL
furfuryl valerate
FL
2-
pentanoyl furan
FL
green
2-
furyl acetone
FL
herbal
5-
hydroxymethyl furfural
FL
nutty
peanut oxazole
FL
sweet
caramel dione
FL
molasses flavor
FL
waxy
furfuryl octanoate
FL
 
Potential Uses:
FLbutter
FLcaramel
 
Occurrence (nature, food, other):note
 not found in nature
 
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
 

Articles:

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Notes:
Flavouring ingredient
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