3-Hexyn-1-ol
Names and Identifiers of 3-Hexyn-1-ol
CAS Number |
1002-28-4 |
|---|---|
EC Number |
213-685-8 |
MDL Number |
MFCD00002957 |
IUPAC Name |
hex-3-yn-1-ol |
InChI |
InChI=1S/C6H10O/c1-2-3-4-5-6-7/h7H,2,5-6H2,1H3 |
InChIKey |
ODEHKVYXWLXRRR-UHFFFAOYSA-N |
Canonical SMILES |
CCC#CCCO |
UNII |
X07KYI4GTH |
UNSPSC Code |
12352100 |
Physical and chemical properties of 3-Hexyn-1-ol
Acidity coefficient |
14.35±0.10(Predicted) |
|---|---|
Boiling Point |
158.9±0.0 °C at 760 mmHg |
BRN |
1735911 |
Density |
0.9±0.1 g/cm3 |
Exact Mass |
98.073166 |
Flash Point |
63.3±0.0 °C |
Index of Refraction |
1.455 |
LogP |
0.99 |
Melting Point |
-34°C (estimate) |
Molecular Formula |
C6H10O |
Molecular Weight |
98.143 |
PSA |
20.23000 |
Storage condition |
2-8°C |
Vapour Pressure |
0.9±0.6 mmHg at 25°C |
Safety Information of 3-Hexyn-1-ol
Applications of 3-Hexyn-1-ol
3-Hexyn-1-ol finds applications across various fields:
- Flavor and Fragrance Industry: Its derivatives are utilized in creating flavoring agents and perfumes due to their pleasant aroma.
- Chemical Intermediate: It serves as a precursor for synthesizing other organic compounds, including pharmaceuticals and agrochemicals.
- Research Tool: In biological studies, it is used to investigate plant emissions and ecological interactions.
Interaction Studies of 3-Hexyn-1-ol
Studies involving 3-Hexyn-1-ol focus on its interactions with various catalysts during hydrogenation processes. Research has shown that using different catalytic systems can affect the selectivity and yield of desired products, such as cis-3-Hexen-1-ol. These findings are crucial for optimizing industrial processes that utilize this compound.
Biological Activity of 3-Hexyn-1-ol
Research indicates that 3-Hexyn-1-ol exhibits biological activity, particularly as a precursor for compounds with potential antimicrobial properties. Its derivatives, such as cis-3-Hexen-1-ol, are known for their role as biogenic volatile organic compounds emitted by plants, contributing to their aroma and potentially influencing ecological interactions.
Physical sample testing spectrum (NMR) of 3-Hexyn-1-ol
