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CAS Number: 56598-53-9
3-Hydroxy-1,4-pentadiyne

Structure

3-Hydroxy-1,4-pentadiyne
Name: 3-Hydroxy-1,4-pentadiyne
Synonyms:
General Information
Product Number: 56598539

CAS Registry Number 56598-53-9
Name:
1,​4-​Pentadiyn-​3-​ol
3-Hydroxy-1,4-pentadiyne

 

Chemical Formula: C5H4O
Exact Mass: 80.03
Molecular Weight: 80.08
m/z: 80.03 (100.0%), 81.03 (5.5%)

 

InChI:InChI=1S/C5H4O/c1-3-5(6)4-2/h1-2,5-6H

InChI Key:BKDYPNZJRPEUEI-UHFFFAOYSA-N

Canonical SMILES:C#CC(C#C)O

 

Thermal Properties Value Condition Note
Boiling Point 80 °C Press: 0.05 Torr (1)CAS
Melting Point 55 °C   (4)CAS
Melting Point 51.5-52.0 °C   (5)CAS
Melting Point 51-52 °C Solv: ligroine (8032-32-4) (1)CAS

Specification

98%

References
  1. (1) Jones, E. R. H.; Journal of the Chemical Society 1956, P4765-8 CAPLUS
  2. (4) Wille, Franz; Chemische Berichte 1961, V94, P1606-11 CAPLUS
  3. (5) Lespieau, R.; Bulletin de la Societe Chimique de France 1939, V6, P947-9 CAPLUS
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