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Cas Database |
| Name |
2-Pentyn-1-ol |
EINECS | 228-411-2 |
| CAS No. | 6261-22-9 | Density | 0.915 g/cm3 |
| PSA | 20.23000 | LogP | 0.39210 |
| Solubility | N/A | Melting Point |
-49.7°C |
| Formula | C5H8O | Boiling Point | 149.1 °C at 760 mmHg |
| Molecular Weight | 84.1179 | Flash Point | 58.3 °C |
| Transport Information | UN 1987 3/PG 3 | Appearance | clear light yellow liquid |
| Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
2-Pentynol;2-Pentynyl alcohol;pent-2-yn-1-ol; |
Article Data | 50 |
2-Pentyn-1-ol Synthetic route
| Conditions | Yield |
|---|---|
| With paraformaldehyde In tetrahydrofuran; hexane | 99% |
| Conditions | Yield |
|---|---|
| With silica gel; iron(III) chloride for 96h; Ambient temperature; | 92% |
| With sulfuric acid In ethanol Heating; | |
| With sulfuric acid In methanol | |
| hydrogenchloride In methanol for 10h; Ambient temperature; Yield given; | |
| With water; sulfuric acid In methanol at 65℃; for 2h; |
| Conditions | Yield |
|---|---|
| Stage #1: but-1-yne With ethyl bromide; magnesium In tetrahydrofuran at 20 - 30℃; for 0.75h; Cooling with ice; Stage #2: formaldehyd In tetrahydrofuran at 20℃; for 3h; Reflux; Stage #3: With sulfuric acid In water Cooling with ice; | 90% |
| With n-butyllithium In diethyl ether | 63% |
| Stage #1: but-1-yne With n-butyllithium In tetrahydrofuran; hexane at -78 - 0℃; for 1h; Inert atmosphere; Stage #2: formaldehyd In tetrahydrofuran; hexane at 0 - 50℃; for 4h; Inert atmosphere; | |
| Stage #1: but-1-yne With ethyl bromide; magnesium In tetrahydrofuran at 30℃; for 0.75h; Cooling with ice; Stage #2: formaldehyd In tetrahydrofuran for 3h; Reflux; | |
| Stage #1: but-1-yne With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 2.5h; Stage #2: formaldehyd In tetrahydrofuran at 20℃; for 16h; |
| Conditions | Yield |
|---|---|
| With lithium amide; ammonia for 1h; Heating; | 85% |
| With N,N,N,N,N,N-hexamethylphosphoric triamide; n-butyllithium In tetrahydrofuran at -30℃; for 18h; | 70% |
| With lithium; ferric nitrate In tetrahydrofuran; ammonia for 2h; | 50% |
| Conditions | Yield |
|---|---|
| In ammonia | 85% |
- 6261-22-9
pent-2-yn-1-ol
| Conditions | Yield |
|---|---|
| With methanol; pyridinium p-toluenesulfonate at 50℃; for 3h; | 54% |
| Conditions | Yield |
|---|---|
| With sodium amide Behandeln des Reaktionsprodukts mit wss.-methanol.Schwefelsaeure; |
| Conditions | Yield |
|---|---|
| With sodium amide Behandeln des Reaktionsprodukts mit wss.-methanol.Schwefelsaeure; |
- 13280-07-4
4-chlorobut-2-yn-1-ol
- 75-16-1
methylmagnesium bromide
A
- 6261-22-9
pent-2-yn-1-ol
B
- 22742-89-8
2-methyl-2,3-butadiene-1-ol
| Conditions | Yield |
|---|---|
| In diethyl ether at 5℃; |
- 10574-76-2
pent-2-ynyl acetate
- 6261-22-9
pent-2-yn-1-ol
| Conditions | Yield |
|---|---|
| With sodium hydroxide In methanol; water Heating; |
2-Pentyn-1-ol Chemical Properties
Product Name: 2-Pentyn-1-ol (CAS NO.6261-22-9)
Molecular Formula: C5H8O
Molecular Weight: 84.12g/mol
Mol File: 6261-22-9.mol
EINECS: 228-411-2
Boiling point: 149.1 °C at 760 mmHg
Flash Point: 58.3 °C
Density: 0.915 g/cm3
Refractive index: n20/D 1.452(lit.)
Surface Tension: 36.5 dyne/cm
Enthalpy of Vaporization: 44.97 kJ/mol
Vapour Pressure: 1.57 mmHg at 25°C
XLogP3-AA: 0.6
H-Bond Donor: 1
H-Bond Acceptor: 1
Structure Descriptors of 2-Pentyn-1-ol (CAS NO.6261-22-9):
IUPAC Name: pent-2-yn-1-ol
Canonical SMILES: CCC#CCO
InChI: InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1H3
InChIKey: WLPYSOCRPHTIDZ-UHFFFAOYSA-N
Product Categories: Acetylenes; Acetylenic Alcohols & Their Derivatives; Alkynes; Internal; Organic Building Blocks
2-Pentyn-1-ol Safety Profile
Safety Information of 2-Pentyn-1-ol (CAS NO.6261-22-9):
Hazard Codes: Xi
Risk Statements: 36/37/38
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements: 26-36/37/39-37/39
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
RIDADR: UN 1987 3/PG 3
WGK Germany: 3
F: 10
HazardClass: 3
PackingGroup: III
2-Pentyn-1-ol Specification
2-Pentyn-1-ol , its CAS NO. is 6261-22-9, the synonyms are AI3-37254 ; EINECS 228-411-2 .
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