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CAS Number: 26421-34-1
2-(2,5-dimethylthiophen-3-yl)acetic acid

Structure

 2-(2,5-dimethylthiophen-3-yl)acetic acid
Name: 2-(2,5-dimethylthiophen-3-yl)acetic acid
Synonyms:
General Information
Product Number: 26421341

CAS Registry Number 26421-34-1
Name:
3-?Thiopheneacetic acid, 2,?5-?dimethyl-
2-(2,5-Dimethyl-3-thienyl)acetic acid

 

Chemical Formula: C8H10O2S
Exact Mass: 170.04
Molecular Weight: 170.23
m/z: 170.04 (100.0%), 171.04 (9.5%), 172.04 (5.0%)

 

InChI:InChI=1S/C8H10O2S/c1-5-3-7(4-8(9)10)6(2)11-5/h3H,4H2,1-2H3,(H,9,10)

InChI Key:ZOFRUWPIASCICK-UHFFFAOYSA-N

Canonical SMILES:CC1=CC(=C(S1)C)CC(=O)O

 

Thermal Properties Value Condition Note
Boiling Point 152-153 °C Press: 2.6 Torr (1)CAS
Melting Point 87 °C   (3)CAS
Melting Point 69.5 °C   (4)CAS
Melting Point 68-70 °C   (5)CAS
Melting Point 67.5-68 °C Solv: ethanol (64-17-5) (6)CAS
Melting Point 62-65 °C   (2)IC

Specification

98%
References
  1. (1) Dann, Otto; Chemische Berichte 1951, V84, P423-6 CAPLUS
  2. (2) Press, Jeffery B.; Journal of Heterocyclic Chemistry 1988, V25(5), P1571-81 CAPLUS
  3. (3) Buu-Hoi; Recueil des Travaux Chimiques des Pays-Bas et de la Belgique 1949, V68, P5-33 CAPLUS
  4. (4) Brown, Ellis V.; Journal of the American Chemical Society 1950, V72, P3414-16 CAPLUS
  5. (5) Dann, Otto; Chemische Berichte 1954, V87, P365-73 CAPLUS
  6. (6) Karamov, O. G.; Russian Chemical Bulletin 2011, V60(1), P168-174 CAPLUS
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