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CAS Number: 5556-07-0
1-(3-hydroxythiophen-2-yl)ethanone

Structure

1-(3-hydroxythiophen-2-yl)ethanone
Name: 1-(3-hydroxythiophen-2-yl)ethanone
Synonyms:
General Information
Product Number: 5556070
CAS Number:
5556-07-0
Name:
Ethanone,1-(3-hydroxy-2-thienyl)-
Synonyms:
Ketone,3-hydroxy-2-thienyl methyl (7CI,8CI);2-Acetyl-3-hydroxythiophene;3-Hydroxy-2-thienyl methyl ketone;Thioisomaltol;1-(3-hydroxythiophen-2-yl)ethanone;ethanone, 1-(3-hydroxy-2-thienyl)-;2-Acetyl-3-Hydroxythiophene;
Chemical Formula: C6H6O2S
Exact Mass: 142.01
Molecular Weight: 142.18
m/z: 142.01 (100.0%), 143.01 (7.4%), 144.00 (4.5%)
Elemental Analysis: C, 50.69; H, 4.25; O, 22.51; S, 22.55
MDL Number: MFCD07787415.
InChI: InChI=1S/C6H6O2S/c1-4(7)6-5(8)2-3-9-6/h2-3,8H,1H3
InChIKey: FWZMXOHXLLSSSL-UHFFFAOYSA-N
Canonical SMILES : CC(=O)C1=C(C=CS1)O
 
Thermal Properties Value Condition Note
Boiling Point 47-49 °C Press: 0.2 Torr (1)CAS
Boiling Point 35 °C Press: 0.001 Torr (2)CAS
Melting Point 51.5-52.5 °C   (1)CAS
Melting Point 50-52 °C   (3)CAS
Melting Point 48-50 °C   (4)IC

Specification

98%

References
  1. (1) Jakobsen, Hans J.; Tetrahedron 1965, V21(12), P3331-49 CAPLUS
  2. (2) Bohlmann, Ferdinand; Chemische Berichte 1964, V97(8), P2109-17 CAPLUS
  3. (3) Kralt, Teunis; Recueil des Travaux Chimiques des Pays-Bas 1967, V86(10), P971-4 CAPLUS
  4. (4) Bertram, Heinz Juergen; EP 411419 A2 1991 CAPLUS
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