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CAS Number: 56311-37-6
5-ethylfuran-2-carboxylic acid

Structure

 5-ethylfuran-2-carboxylic acid
Name: 5-ethylfuran-2-carboxylic acid
Synonyms:
General Information
Product Number: 56311376
CAS Registry Number: 56311-37-6
Name:
        2-​Furancarboxylic acid, 5-​ethyl-
        2-​Furoic acid, 5-​ethyl- (6CI,​7CI); 5-​Ethylfuran-​2-​carboxylic acid; NSC 61871 
 
Chemical Formula: C7H8O3
Exact Mass: 140.05
Molecular Weight: 140.14
m/z: 140.05 (100.0%), 141.05 (7.8%)
Elemental Analysis: C, 59.99; H, 5.75; O, 34.25
 
InChI: InChI=1S/C7H8O3/c1-2-5-3-4-6(10-5)7(8)9/h3-4H,2H2,1H3,(H,8,9)
InChIKey: YIFZPUOIORLHGC-UHFFFAOYSA-N
Canonical SMILES : CCC1=CC=C(O1)C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 93.5-94.5 °C Solv: benzene (71-43-2) (3)CAS
Melting Point 92-93 °C   (4)CAS
Melting Point 91-92 °C Solv: ethyl acetate (141-78-6) (5)IC
Melting Point 89-91 °C   (6)IC

Specification

98%
References
  1. (1) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
  2. (2) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  3. (3) Traynelis, Vincent J.; Journal of Organic Chemistry 1957, V22, P1269-70 CAPLUS
  4. (4) Mndzhoyan, A. L.; Doklady Akademii Nauk Armyanskoi SSR 1957, V25, P267-75 CAPLUS
  5. (5) Masamune, Tadashi; Bulletin of the Chemical Society of Japan 1975, V48(2), P491-6 CAPLUS
  6. (6) Knight, David W.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1981, (4), P1125-31 CAPLUS
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