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CAS Number: 6141-57-7
methyl 3-methylfuran-2-carboxylate

Structure

methyl 3-methylfuran-2-carboxylate
Name: methyl 3-methylfuran-2-carboxylate
Synonyms:
General Information
Product Number: 6141577
CAS Registry Number: 6141-57-7
Name:
2-​Furancarboxylic acid, 3-​methyl-​, methyl ester
2-​Furoic acid, 3-​methyl-​, methyl ester (6CI,​7CI,​8CI); 3-​Methylfuran-​2-​carboxylic acid methyl ester; Methyl 3-​methyl-​2-​furancarboxylate; Methyl 3-​methyl-​2-​furoate; Methyl 3-​methylfuroate; NSC 508754 
 
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/c1-5-3-4-10-6(5)7(8)9-2/h3-4H,1-2H3
InChIKey: AQQYRDKMXXSIMP-UHFFFAOYSA-N
Canonical SMILES : CC1=C(OC=C1)C(=O)OC
 
Thermal Properties Value Condition Note
Boiling Point 72-78 °C Press: 8 Torr (1)CAS
Boiling Point 72-76 °C Press: 8 Torr (2)CAS
Melting Point 36.5-37 °C   (2)CAS
Melting Point 34.5-36.5 °C   (1)CAS

Specification

98%

References
  1. (1) Burness, Donald M.; US 2772295 1956 CAPLUS
  2. (2) Burness, D. M.; Journal of Organic Chemistry 1956, V21, P102-4 CAPLUS
  3. (3) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  4. (4) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  5. (5) Prugh, John D.; Journal of Organic Chemistry 1964, V29(7), P1991-4 CAPLUS
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