structure of Ethyl 2-furanpropionate

Ethyl 2-furanpropionate

CAS No.: 10031-90-0
M. Wt: 168.19000
M. Fa: C9H12O3
InChI Key: OWIWZQQFSTZZIG-UHFFFAOYSA-N
Appearance: Light yellow liquid

Names and Identifiers of Ethyl 2-furanpropionate

CAS Number

10031-90-0

EC Number

233-097-5

MDL Number

MFCD00036496

IUPAC Name

ethyl 3-(furan-2-yl)propanoate

InChI

InChI=1S/C9H12O3/c1-2-11-9(10)6-5-8-4-3-7-12-8/h3-4,7H,2,5-6H2,1H3

InChIKey

OWIWZQQFSTZZIG-UHFFFAOYSA-N

Canonical SMILES

CCOC(=O)CCC1=CC=CO1

UNII

2RAP445QD8

UNSPSC Code

12352100

Physical and chemical properties of Ethyl 2-furanpropionate

Boiling Point

260.00 °C. @ 760.00 mm Hg

Density

1.051-1.058

Exact Mass

168.07900

Flash Point

196 °F

H Bond Acceptors

1

H Bond Donors

0

Index of Refraction

1.455-1.462

LogP

2.015 (est)

Melting Point

24.5 °C

Molecular Formula

C9H12O3

Molecular Weight

168.19000

PSA

39.44000

Solubility

Soluble (in ethanol)

Vapour Pressure

0.148mmHg at 25°C

Safety Information of Ethyl 2-furanpropionate

Pictograms

Signal Word

Warning

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

Applications of Ethyl 2-furanpropionate

Ethyl 2-furanpropionate finds applications in various fields:

  • Fragrance Industry: It is widely used as a fragrance ingredient due to its pleasant aroma, contributing to floral and fruity notes in perfumes and cosmetics.
  • Food Industry: This compound also serves as a flavoring agent in food products, enhancing taste profiles.
  • Pharmaceuticals: Given its biological activity, ethyl 2-furanpropionate may have potential uses in drug development, particularly as a lead compound for further modifications.

Biological Activity of Ethyl 2-furanpropionate

Research indicates that ethyl 2-furanpropionate exhibits various biological activities. It has been studied for its potential:

  • Antioxidant Properties: Compounds containing furan rings are often evaluated for their ability to scavenge free radicals, which may contribute to their protective effects against oxidative stress.
  • Toxicity Profiles: Studies have shown that while furans can be toxic, ethyl 2-furanpropionate's toxicity levels are generally lower compared to other furan derivatives, making it safer for use in consumer products.

Physical sample testing spectrum (NMR) of Ethyl 2-furanpropionate

Physical sample testing spectrum (NMR) of Ethyl 2-furanpropionate

Retrosynthesis analysis of Ethyl 2-furanpropionate

  • Route#1

    Cas:935-13-7
    Cas:10031-90-0
  • Route#2

    Cas:623-20-1
    Cas:10031-90-0
  • Route#3

    Cas:161890-21-7
    Cas:10031-90-0