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CAS Number: 21010-06-0
5-(thiophen-2-yl)pentanoic acid

Structure

5-(thiophen-2-yl)pentanoic acid
Name: 5-(thiophen-2-yl)pentanoic acid
Synonyms:
General Information
Product Number: 21010060

CAS Registry Number 21010-06-0
Name:
2-?Thiophenepentanoic acid
2-Thiophenevaleric acid (6CI,7CI,8CI)
5-(2-Thienyl)pentanoic acid
5-(2-Thienyl)valeric acid

 

Chemical Formula: C9H12O2S
Exact Mass: 184.06
Molecular Weight: 184.26
m/z: 184.06 (100.0%), 185.06 (10.7%), 186.05 (4.5%)

 

InChI:InChI=1S/C9H12O2S/c10-9(11)6-2-1-4-8-5-3-7-12-8/h3,5,7H,1-2,4,6H2,(H,10,11)

InChI Key:OQFTZRHAQGXEQU-UHFFFAOYSA-N

Canonical SMILES:C1=CSC(=C1)CCCCC(=O)O

 

Thermal Properties Value Condition Note
Boiling Point 178 °C Press: 14 Torr (1)CAS
Boiling Point 177 °C Press: 14 Torr (2)CAS
Boiling Point 163.4 °C Press: 9 Torr (3)CAS
Boiling Point 148-150 °C Press: 1 Torr (4)IC
Melting Point 41-43 °C   (2)CAS
Melting Point 40-41 °C   (7)CAS
Melting Point 36 °C   (1)CAS
Melting Point 36 °C   (4)IC

Specification

98%

References
  1. (1) Cagniant, Paul; Compt. rend. 1946, V222, P1301-2 CAPLUS
  2. (2) Fabrichnyi, B. P.; Zhurnal Obshchei Khimii 1958, V28, P2520-30 CAPLUS
  3. (3) Gol'dfarb, Ya. L.; Zhurnal Obshchei Khimii 1959, V29, P3564-75 CAPLUS
  4. (4) Jones, Gurnos; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1977, (5), P505-10 CAPLUS
  5. (7) Claeson, Goran; Arkiv foer Kemi 1969, V31(9), P83-98 CAPLUS
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