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CAS Number: 4412-96-8
3-methylfuran-2-carboxylic acid

Structure

3-methylfuran-2-carboxylic acid
Name: 3-methylfuran-2-carboxylic acid
Synonyms:
General Information
Product Number: 4412968

CAS Registry Number 4412-96-8
Name:
2-?Furancarboxylic acid, 3-?methyl-
2-Furoic acid, 3-methyl- (6CI,7CI,8CI)
3-Methyl-2-furoic acid
3-Methylfuran-2-carboxylic acid
Elsholtzic acid
NSC 508742

 

Chemical Formula: C6H6O3
Exact Mass: 126.03
Molecular Weight: 126.11
m/z: 126.03 (100.0%), 127.04 (6.7%)

 

InChI:InChI=1S/C6H6O3/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H,7,8)

InChI Key:BNYIQEFWGSXIKQ-UHFFFAOYSA-N

Canonical SMILES:CC1=C(OC=C1)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 135-136 °C   (2)CAS
Melting Point 134-135 °C Solv: water (7732-18-5) (3)CAS
Melting Point 134 °C   (4)CAS
Melting Point 134 °C Solv: water (7732-18-5) (5)CAS
Melting Point 133 °C   (6)CAS
Melting Point 132-132.5 °C   (7)CAS

Specification

98%

References
  1. (2) Fujita, Yasuji; Chemistry & Industry (London, United Kingdom) 1960, P236 CAPLUS
  2. (3) Sherman, Edward; Journal of the American Chemical Society 1950, V72, P2195-9 CAPLUS
  3. (4) Asahina, Y.; Yakugaku Zasshi 1922, VNo. 485, P565-79 CAPLUS
  4. (5) Asahina, Yasuhiko; Yakugaku Zasshi 1915, (398), P361-4 CAPLUS
  5. (6) Asahina, Yasuhiko; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1936, V69B, P1646-9 CAPLUS
  6. (7) Burness, D. M.; Journal of Organic Chemistry 1956, V21, P102-4 CAPLUS
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