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ethyl (E)-3-(2-furyl) acrylate

flavoring agents
2D:
3D:
CAS Number: 53282-12-5
FDA UNII: 89NQL84I8H
Category: flavoring agents
IUPAC Name: ethyl (E)-3-(2-furyl) acrylate
InChI : InChI=1/C9H10O3/c1-2-11-9(10)6-5-8-4-3-7-12-8/h3-7H,2H2,1H3/b6-5+
Std.InChI: InChI=1S/C9H10O3/c1-2-11-9(10)6-5-8-4-3-7-12-8/h3-7H,2H2,1H3/b6-5+
InChIKey : MWZBTMXISMOMAE-AATRIKPKBV
Std.InChIKey: MWZBTMXISMOMAE-AATRIKPKSA-N
SMILES : CCOC(=O)/C=C/C1=CC=CO1
Molar Refractivity : 45.48 ± 0.3 cm3 (est)
Parachor : 368.5 ± 4.0 cm3 (est)
Index of Refraction : 1.519 ± 0.02 (est)
Surface Tension : 36.7 ± 3.0 dyne/cm (est)
Density : 1.110 ± 0.06 g/cm3 (est)
Polarizability : 18.03 ± 0.5 10-24cm3 (est)

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

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NCBI:Search
JECFA Food Flavoring:2103 (E)-ethyl 3-(2-furyl)acrylate
FEMA Number:4541 ethyl 3-(2-furyl)acrylate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):53282-12-5 ; (E)-ETHYL 3-(2-FURYL)ACRYLATE

Physical Properties:

Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.09000 to 1.09600 @ 25.00 °C.
Pounds per Gallon - (est).: 9.070 to 9.120
Refractive Index:1.54200 to 1.54800 @ 20.00 °C.
Melting Point: 24.00 to 25.00 °C. @ 760.00 mm Hg
Boiling Point: 230.00 to 233.00 °C. @ 760.00 mm Hg
Boiling Point: 94.00 to 98.00 °C. @ 2.00 mm Hg
Vapor Pressure:0.060000 mmHg @ 25.00 °C. (est)
Flash Point: 205.00 °F. TCC ( 96.11 °C. )
logP (o/w): 2.329 (est)
Soluble in:
alcohol
water, 818.1 mg/L @ 25 °C (est)
Insoluble in:
water

Cosmetic Information:

None found

Suppliers:

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 ethyl (E)-3-(2-furyl) acrylate usage levels up to:
not for fragrance use.
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: 24
Click here to view publication 24
average usual ppmaverage maximum ppm
baked goods: 0.400002.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: 0.200001.00000
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: 0.200001.00000
sweet sauces: 0.100000.50000

Safety References:

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 :699489
National Institute of Allergy and Infectious Diseases:Data
ethyl (E)-3-furan-2-ylprop-2-enoate
Chemidplus:0053282125

References:

ethyl (E)-3-furan-2-ylprop-2-enoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:53282-12-5
Pubchem (cid):699489
Pubchem (sid):135052336

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):HMDB41611
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 :

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):

not found in nature

Synonyms:

ethyl (2E)-3-(2-furyl)acrylate
ethyl (2E)-3-(2-furyl)prop-2-enoate
ethyl (2E)-3-(furan-2-yl)prop-2-enoate
ethyl (E)-3-(2-furyl)-2-propenoate
ethyl (E)-3-(2-furyl)acrylate
ethyl (E)-3-furan-2-ylprop-2-enoate
(E)-ethyl 3-(2-furyl)acrylate
ethyl trans-3-(2-furyl) acrylate
ethyl trans-3-(2-furyl)-2-propenoate
ethyl trans-3-(2-furyl)acrylate
ethyl trans-3-furan-2-ylprop-2-enoate
(E)-3-(2-furanyl)-2-propenoic acid ethyl ester
trans-3-(2-furanyl)-2-propenoic acid ethyl ester
2-propenoic acid, 3-(2-furanyl)-, ethyl ester, (2E)-

Articles:

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