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

furfuryl isobutyrate
2-methylpropanoic acid 2-furanylmethyl ester

Supplier Sponsors

CAS Number: 6270-55-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:228-453-1
Nikkaji Web:J211.506I
CoE Number:10641
XlogP3-AA:1.80 (est)
Molecular Weight:168.19224000
Formula:C9 H12 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
FLAVIS Number:13.133 (Old)
DG SANTE Food Flavourings:13.133 furfuryl isobutyrate
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.02800 to 1.03400 @ 25.00 °C.
Pounds per Gallon - (est).: 8.554 to 8.604
Refractive Index:1.49700 to 1.50300 @ 20.00 °C.
Boiling Point: 203.00 to 204.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.274000 mm/Hg @ 25.00 °C. (est)
Flash Point: 188.00 °F. TCC ( 86.67 °C. )
logP (o/w): 1.966 (est)
Soluble in:
 alcohol
 water, 606.1 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
fruity coffee
Odor Description:at 10.00 % in dipropylene glycol. fruity coffee
Flavor Type: fruity
fruity quince
Taste Description: fruity quince-like
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Furfuryl Isobutyrate
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 furfuryl isobutyrate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.89 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Adequate NOAEL exists: Yes
Threshold of Concern:90 (μg/person/day)
Structure Class: III
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
 
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 13 (FGE.13); Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14 (Commission Regulation (EC) No 1565/2000 of 18
View page or View pdf

Flavouring Group Evaluation 66 (FGE.66)[1]:Consideration of furfuryl alcohol and related flavouring substances evaluated by JECFA (55th meeting) structurally related to Furfuryl and furan derivatives with and without additional side chain substituents and heteroatoms evaluated by EFSA in FGE.13 (2005)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 13Rev1: Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14
View page or View pdf

Consideration of sulfur-substituted furan derivatives used as flavouring agents evaluated by JECFA (59th meeting) structurally related to a subgroup of substances within the group of “Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14” evaluated by EFSA in FGE.13Rev1 (2009)
View page or View pdf

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 13, Revision 2 (FGE.13Rev2): Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14
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

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :80454
National Institute of Allergy and Infectious Diseases:Data
furan-2-ylmethyl 2-methylpropanoate
Chemidplus:0006270559
 
References:
 furan-2-ylmethyl 2-methylpropanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:6270-55-9
Pubchem (cid):80454
Pubchem (sid):135036747
 
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
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2915.60.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
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
alliaceous
methyl furfuryl disulfide
FL/FR
balsamic
2-
acetyl furan
FL/FR
caramellic
caramel furanone solution
FL/FR
coffee dione
FL/FR
cyclotene
FL/FR
fenugreek oleoresin
FL/FR
5-
methyl furfural
FL/FR
chocolate
2,6-
dimethyl pyrazine
FL/FR
2-
methyl butyraldehyde
FL/FR
2,4,5-
trimethyl thiazole
FL/FR
coffee
cichorium intybus root extract
FL/FR
cichorium intybus root solid extract
FL/FR
roasted
coffea arabica seed extract
FL/FR
coffea arabica seed extract
FL/FR
coffea arabica seed oil
FL/FR
coffee absolute
FL/FR
arabica
coffee bean butter
FL/FR
roasted arabica
coffee bean essence
FL/FR
roasted
coffee bean extract
FL/FR
roasted arabica
coffee bean oil
FL/FR
roasted arabica
coffee bean oil CO2 extract
FL/FR
coffee bean oil extract
FL/FR
coffee difuran
FL/FR
coffee resinoid
FL/FR
furfuryl mercaptan
FL/FR
1-
hydroxy-2-butanone
FL/FR
2-
methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR
earthy
nutty pyrazine
FL/FR
fruity
tropical thiazole
FL/FR
herbal
wormwood oil america
FL/FR
wormwood oil italy
FL/FR
wormwood oil poland
FL/FR
medicinal
2,6-
xylenol
FL/FR
moldy
strawberry furanone methyl ether
FL/FR
musty
menthofuran
FL/FR
nutty
3,5-
cocoa pyrazine
FL/FR
2,3-
dimethyl pyrazine
FL/FR
4,5-
dimethyl-2-ethyl-3-thiazoline
FL/FR
2-
ethyl pyrazine
FL/FR
2-
ethyl-4-methyl thiazole
FL/FR
filbert heptenone
FL/FR
filbert heptenone B
FL/FR
5-
methyl quinoxaline
FL/FR
sesame absolute
FL/FR
sesame absolute CO2 extract
FL/FR
phenolic
para-alpha-
dimethyl styrene
FL/FR
popcorn
2-
acetyl pyrazine
FL/FR
roasted
fenugreek resinoid
FL/FR
trigonella foenum-graecum seed oil CO2 extract
FL/FR
sulfurous
benzothiazole
FL/FR
furfuryl thioacetate
FL/FR
S-
furfuryl thioformate
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
sweet
2-
hydroxy-3,4,5-trimethyl-2-cyclopenten-1-one
FL/FR
vegetable
1-
furfuryl pyrrole
FL/FR
woody
juniper berry oleoresin
FL/FR
For Flavor
No flavor group found for these
2-
acetyl-6-methyl pyrazine
FL
2,5-
dimethyl-3-thiofuroyl furan
FL
2-
formyl pyrrole
FL
2-
hydroxy-3,4,5-trimethyl-2-cyclopenten-1-one
FL/FR
2-
methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR
pyrazines mixture
FL
alliaceous
alliaceous
benzyl mercaptan
FL
dicyclohexyl disulfide
FL
tropical thiazole
FL/FR
brown
fenugreek oleoresin
FL/FR
1-
hydroxy-2-butanone
FL/FR
5-
methyl furfural
FL/FR
burnt
furfuryl alcohol
FL
2-
methyl quinoxaline
FL
2,6-
xylenol
FL/FR
caramellic
caramel furanone solution
FL/FR
cyclotene
FL/FR
fenugreek resinoid
FL/FR
coffee
cichorium intybus root extract
FL/FR
cichorium intybus root solid extract
FL/FR
coffea arabica seed extract
FL/FR
roasted
coffea arabica seed extract
FL/FR
coffea arabica seed oil
FL/FR
coffee absolute
FL/FR
arabica
coffee bean butter
FL/FR
roasted arabica
coffee bean essence
FL/FR
roasted
coffee bean extract
FL/FR
roasted arabica
coffee bean oil CO2 extract
FL/FR
coffee bean oil extract
FL/FR
coffee difuran
FL/FR
coffee dione
FL/FR
coffee distillates
FL
coffee pyrazine
FL
coffee resinoid
FL/FR
difurfuryl ether
FL
diisoamyl thiomalate
FL
2,4-
dimethyl thiazole
FL
2-
ethyl-4-methyl thiazole
FL/FR
furfuryl mercaptan
FL/FR
methyl furfuryl disulfide
FL/FR
methyl furfuryl thiol
FL
2-
thiophene thiol
FL
earthy
difurfuryl sulfide
FL
fruity
furfuryl isovalerate
FL
furfuryl propionate
FL
fusel
2-
methyl butyraldehyde
FL/FR
green
2-
methyl-5-isopropyl pyrazine
FL
herbal
wormwood oil america
FL/FR
wormwood oil italy
FL/FR
wormwood oil poland
FL/FR
meaty
benzothiazole
FL/FR
3-
mercapto-2-butanone
FL
2-
methyl 3-(methyl thio) furan
FL
molasses
molasses blackstrap
FL
moldy
strawberry furanone methyl ether
FL/FR
mustard
furfuryl methyl ether
FL
musty
2-
ethoxythiazole
FL
menthofuran
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
nutty
2-
acetyl furan
FL/FR
3,5-
cocoa pyrazine
FL/FR
2,3-
dimethyl pyrazine
FL/FR
2,6-
dimethyl pyrazine
FL/FR
4,5-
dimethyl-2-ethyl-3-thiazoline
FL/FR
2-
ethyl pyrazine
FL/FR
1-
ethyl-2-acetyl pyrrole
FL
filbert heptenone
FL/FR
filbert heptenone B
FL/FR
5-
methyl quinoxaline
FL/FR
nutty pyrazine
FL/FR
nutty thiazole
FL
sesame absolute
FL/FR
sesame absolute CO2 extract
FL/FR
2,4,5-
trimethyl thiazole
FL/FR
onion
furfuryl isopropyl sulfide
FL
roasted
2-
acetyl pyrazine
FL/FR
roasted arabica
coffee bean oil
FL/FR
ethyl 3-(furfuryl thio) propionate
FL
furfuryl thioacetate
FL/FR
trigonella foenum-graecum seed oil CO2 extract
FL/FR
solvent
2-
ethyl furan
FL
spicy
para-alpha-
dimethyl styrene
FL/FR
sulfurous
2,3-
butane dithiol
FL
butyl mercaptan
FL
ethyl methyl sulfide
FL
S-
ethyl thioacetate
FL
S-
furfuryl thioformate
FL/FR
furfuryl thiopropionate
FL
2-
thienyl mercaptan
FL
vegetable
1-
furfuryl pyrrole
FL/FR
woody
juniper berry oleoresin
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 coffee
Search PMC Picture
 
Synonyms:
isobutyric acid furfuryl ester
 furan-2-ylmethyl 2-methylpropanoate
 furfuryl 2-methyl propionate
 furfuryl 2-methylpropionate
2-furylmethyl 2-methylpropanoate
2-methyl propanoic acid 2-furanyl methyl ester
2-methylpropanoic acid 2-furanylmethyl ester
 propanoic acid, 2-methyl-, 2-furanylmethyl ester
 
 
Notes:
None found
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