Basic information
- CAS
10031-90-0- Standard SMILES
CCOC(=O)CCc1ccco1- InChIKey
OWIWZQQFSTZZIG-UHFFFAOYSA-N- Molecular formula
- C9H12O3
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.07864424
Overview
Ethyl 2-furanpropionate is a fatty acid ester.
Names & identifiers
- Preferred name
- Ethyl 2-furanpropionate
- IUPAC
- ethyl 3-(furan-2-yl)propanoate
- English name
- Ethyl 3-(2-furyl)propionate
- Molecular formula
- C9H12O3
- Molecular weight
- 168.19
Names & synonyms
10031-90-0Ethyl 3-(2-furyl)propionateethyl 3-(furan-2-yl)propanoateEthyl 2-furanpropionate2-Furanpropanoic acid, ethyl esterEthyl 3-(2-furyl)propanoateEthyl furfhydracrylate2-Furanpropionic acid, ethyl esterEthyl 2-furanpropanoateEthyl furfurylhydracrylateEthyl beta-furylpropionateFEMA No. 2435
Show more names
FEMA 2435ETHYL FURYLHYDRACRYLATEethyl furan-2-propionate3-furyl-propanoicacidethylester2-Furanpropanoicacid,ethylester2-Furanepropanoicacidethylester
Ethyl 3-(alpha-furyl)propionateUNII-2RAP445QD8Ethyl .beta.-furylpropionate2RAP445QD8ethyl 3-(2-furyl) propanoateEthyl 3-(.alpha.-furyl)propionateEINECS 233-097-5NSC 97529
Database identifiers
- CAS
10031-90-0- PubChem CID
- 61450
- DTXSID
DTXSID0064917
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
FragrancesFragrance Ingredient (Ethyl 3(2-furyl)propanoate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.051-1.058
Flavoring AgentsEU Flavoring substances
Solubility
very slightly
Very slightly soluble in water
Soluble (in ethanol)
Boiling Point260.00 °C. @ 760.00 mm Hg
Melting Point24.5 °C
Refractive Index1.455-1.462
Physical Description
Solid
Yellow liquid; Fruity pineapple aroma
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 5.6% (78 of 1400) of reports.
Warning
H226 (91.9%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1400 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 2-Furanpropanoic acid, ethyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Furanpropanoic acid, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (91.9%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H227-H302
- Precautionary statements
- P210-P280-P370+P378-P403+P235-P501
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2-Furanpropanoic acid, ethyl ester: ACTIVE
Applications
OccurrenceReported found in rum.
Usesflavors and fragrances
Preparation methods
PreparationBy direct esterification of the acid, which in turn is prepared by condensation of furfural with acetic anhydride and sodium acetate, followed by hydrogenation of the furacrylic acid
Upstream & downstream products
Upstream raw materials
Related reactions
13 records
Compound notes
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