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CAS Number: 636-44-2
2,5-dimethylfuran-3-carboxylic acid

Structure

2,5-dimethylfuran-3-carboxylic acid
Name: 2,5-dimethylfuran-3-carboxylic acid
Synonyms:
General Information
Product Number: 636442

CAS Registry Number 636-44-2
Name:
3-?Furancarboxylic acid, 2,?5-?dimethyl-
3-Furoic acid, 2,5-dimethyl- (6CI,8CI)
2,5-Dimethyl-3-furancarboxylic acid
2,5-Dimethyl-3-furoic acid
NSC 170612
Pyrotritaric acid

 

Chemical Formula: C7H8O3
Exact Mass: 140.05
Molecular Weight: 140.14
m/z: 140.05 (100.0%), 141.05 (7.8%)

 

InChI:InChI=1S/C7H8O3/c1-4-3-6(7(8)9)5(2)10-4/h3H,1-2H3,(H,8,9)

InChI Key:CNTHHNPBADVTRY-UHFFFAOYSA-N

Canonical SMILES:CC1=CC(=C(O1)C)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 138.9-139.1 °C Solv: ethanol (64-17-5); water (7732-18-5) (2)IC
Melting Point 137-138 °C Solv: ethanol (64-17-5); water (7732-18-5) (3)IC
Melting Point 135.4 °C   (4)CAS
Melting Point 135 °C   (5)CAS
Melting Point 135 °C   (6)CAS
Melting Point 134 °C   (7)CAS

Specification

98%

References
  1. (2) Kagan, Jacques; Journal of Organic Chemistry 1980, V45(8), P1524-5 CAPLUS
  2. (3) Akhmedov, Sh. T.; Khimiya Geterotsiklicheskikh Soedinenii 1986, (12), P1602-6 CAPLUS
  3. (4) Hurd, Charles D.; Journal of the American Chemical Society 1948, V70, P739-41 CAPLUS
  4. (5) Gilman, Henry; Recueil des Travaux Chimiques des Pays-Bas et de la Belgique 1933, V52, P151-5 CAPLUS
  5. (6) Treibs, Alfred; Chemische Berichte 1954, V87, P1163-6 CAPLUS
  6. (7) Gilman, Henry; Recueil des Travaux Chimiques des Pays-Bas et de la Belgique 1932, V51, P667-72 CAPLUS
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