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General Material Information

Preferred name isoamyl 3-(2-furan) propionate
Trivial Name Isoamyl 3-(2-furan)propionate
Short Description isoamyl 3-(2-furan)propionate
Formula C12 H18 O3
CAS Number 7779-67-1
FEMA Number 2071
Flavis Number 13.023
ECHA Number 231-932-8
FDA UNII 4B479FVZ19
Nikkaji Number J184.213G
MDL MFCD00238526
COE Number 2092
NMR Predictor External link
JECFA Food Flavoring 1515 isoamyl 3-(2-furan)propionate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 7779-67-1 ; ISOAMYL 3-(2-FURAN)PROPIONATE
Synonyms
  • iso amyl 2-furan propionate so called
  • iso amyl 2-furyl propionate
  • iso amyl 3-(2-furan)-propionate
  • iso amyl 3-(2-furan)propionate
  • alpha-iso amyl furfuryl acetate
  • N- amyl furyl acrylate
  • iso- amyl furylpropionate
  • fruity acrylate
  • 2-furanpropanoic acid, 3-methylbutyl ester
  • 3-methyl butyl 2-furyl propionate
  • 3-methyl butyl 3-(furan-2-yl)propanoate
  • 3-methyl butyl furan-2-propionate
  • 3-methylbutyl 2-furylpropionate
  • 3-methylbutyl 3-(2-furyl)propionate
  • 3-methylbutyl 3-(furan-2-yl)propanoate
  • 3-methylbutyl furan-2-propionate
  • iso pentyl 2-furan propionate
  • 3-methylbutyl 3-(furan-2-yl)propanoate
  • 2-Furanpropanoic acid, 3-methylbutyl ester
  • 2-Furanpropionic acid, isopentyl ester
  • Isopentyl alcohol, 2-furanpropionate
  • Isoamyl 2-furanpropionate
  • α-Isoamyl furfurylacetate
  • Isoamyl furylpropanoate
  • Isoamyl 3-(2-furan)propionate

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Literature & References

3-methylbutyl 3-(furan-2-yl)propanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:7779-67-1
Pubchem (cid):538506
Pubchem (sid):135262956
Publications by Info
substances containing furan substitution

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):HMDB37735
FooDB:FDB016865
Export Tariff Code:2932.19.0000
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

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 210.27305603027
Specific gravity @ 25 °C
Pounds per Gallon 8.213 to 8.263
Refractive Index 1.549 to 1.557 @ 20 °C
Acid Value 5 max KOH/g
Vapor Pressure 0.009 mmHg @ 25 °C
Flash Point TCC Value 110 °C TCC
logP (o/w) 3.361 est
Solubility
alcohol Yes
water, 20.65 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Green
sweet, green, floral, fruity, apple green apple, rose, raisin, caramellic
General comment At 100.00 %. sweet green floral fruity sour apple rose raisin caramel

Potential Uses

Applications
Odor purposes Floral, Green, Raisin
Flavoring purposes Caramel, Whiskey

Safety Information

Safety information

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.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
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:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for isoamyl 3-(2-furan) propionate usage levels up to:
0.7000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.24 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.09 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1100 (μg/person/day)
Threshold of Concern:90 (μg/person/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: 1.600003.60000
beverages(nonalcoholic): 0.020000.33000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.330000.65000
fruit ices: 0.330000.65000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 1.600003.60000
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: --
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): --
Fats and oils, and fat emulsions (type water-in-oil) (02.0): --
Edible ices, including sherbet and sorbet (03.0): --
Processed fruit (04.1): --
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): --
Chewing gum (05.3): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): --
Bakery wares (07.0): 8.00000-
Meat and meat products, including poultry and game (08.0): --
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): --
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): --
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): --
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): --
Ready-to-eat savouries (15.0): --
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): --

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

Scientific Opinion on Flavouring Group Evaluation 67, Revision 3 (FGE.67Rev3): consideration of 23 furan-substituted compounds evaluated by JECFA at the 55th, 65th, 69th and 86th meetings
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :538506
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
3-methylbutyl 3-(furan-2-yl)propanoate
Chemidplus:0007779671