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CAS Number: 52323-98-5
4,4-dimethylpent-2-yn-1-ol

Structure

4,4-dimethylpent-2-yn-1-ol
Name: 4,4-dimethylpent-2-yn-1-ol
Synonyms:
General Information
Product Number: 52323985
CAS Registry Number: 52323-98-5
Name:
2-​Pentyn-​1-​ol, 4,​4-​dimethyl-
3-​tert-​Butylpropargyl alcohol; 4,​4-​Dimethyl-​2-​pentyn-​1-​ol 
 
Chemical Formula: C7H12O
Exact Mass: 112.09
Molecular Weight: 112.17
m/z: 112.09 (100.0%), 113.09 (7.6%)
Elemental Analysis: C, 74.95; H, 10.78; O, 14.26
 
InChI: InChI=1S/C7H12O/c1-7(2,3)5-4-6-8/h8H,6H2,1-3H3
InChIKey: NLLANJRMYBRPDY-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)C#CCO
 
Thermal Properties Value Condition Note
Boiling Point 162.4-163.4 °C Press: 767.6 Torr (1)CAS
Boiling Point 68-69 °C Press: 17 Torr (2)CAS
Boiling Point 54 °C Press: 5 Torr (3)IC
Boiling Point 51-52 °C Press: 6 Torr (4)CAS

Specification

98%

References
  1. (1) Bartlett, Paul D.; Journal of the American Chemical Society 1942, V64, P543-6 CAPLUS
  2. (2) Tirpak, Michael R.; Journal of Organic Chemistry 1960, V25, P687-90 CAPLUS
  3. (3) Brown, Herbert C.; Journal of Organic Chemistry 1985, V50(10), P1577-82 CAPLUS
  4. (4) Sperger, Christian; Tetrahedron 2010, V66(39), P7749-7754 CAPLUS
  5. (5) MacInnes, Iain; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999) 1987, (8), P1077-82 CAPLUS
  6. (6) Hatch, Lewis F.; Journal of Organic Chemistry 1961, V26, P61-5 CAPLUS
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