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CAS No.: | 6261-22-9 |
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Name: | 2-Pentyn-1-ol |
Article Data: | 50 |
Molecular Structure: | |
Formula: | C5H8O |
Molecular Weight: | 84.1179 |
Synonyms: | 2-Pentynol;2-Pentynyl alcohol;pent-2-yn-1-ol; |
EINECS: | 228-411-2 |
Density: | 0.915 g/cm3 |
Melting Point: | -49.7°C |
Boiling Point: | 149.1 °C at 760 mmHg |
Flash Point: | 58.3 °C |
Appearance: | clear light yellow liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
Transport Information: | UN 1987 3/PG 3 |
PSA: | 20.23000 |
LogP: | 0.39210 |
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 |
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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 |
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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% |
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; |
4-chlorobut-2-yn-1-ol
methylmagnesium bromide
A
pent-2-yn-1-ol
B
2-methyl-2,3-butadiene-1-ol
Conditions | Yield |
---|---|
In diethyl ether at 5℃; |
pent-2-ynyl acetate
pent-2-yn-1-ol
Conditions | Yield |
---|---|
With sodium hydroxide In methanol; water Heating; |
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
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 , its CAS NO. is 6261-22-9, the synonyms are AI3-37254 ; EINECS 228-411-2 .