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CAS No.: | 928-90-5 | ||||||||||
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Name: | 5-Hexyn-1-ol | ||||||||||
Article Data: | 40 | ||||||||||
Molecular Structure: | |||||||||||
Formula: | C6H10 O | ||||||||||
Molecular Weight: | 98.1448 | ||||||||||
Synonyms: | 1-Hexyn-6-ol;1-Hydroxy-5-hexyne;5-Hexynol;5-Hexynyl alcohol;6-Hydroxy-1-hexyne; | ||||||||||
Density: | 0.901g/cm3 | ||||||||||
Melting Point: | -34°C (estimate) | ||||||||||
Boiling Point: | 167.1 °C at 760 mmHg | ||||||||||
Flash Point: | 70 °C | ||||||||||
Solubility: | Slightly miscible with water. | ||||||||||
Appearance: | Clear pale yellow liquid | ||||||||||
Hazard Symbols: | Xi | ||||||||||
Risk Codes: | R36/37/38 | ||||||||||
Safety: |
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PSA: | 20.23000 | ||||||||||
LogP: | 0.78220 |
tert-butyldimethylsilyl hex-5-yn-1-yl ether
5-hexyl-1-ol
Conditions | Yield |
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With hydrogenchloride In methanol; water at 23℃; for 1h; Inert atmosphere; | 93% |
With triethylamine hydrofluoride In tetrahydrofuran at 50℃; for 19h; var. reag.: (n-Bu)4N(1+)*F(1-); | 86% |
Conditions | Yield |
---|---|
With ammonium nitrate; Montmorillonite-K10 for 0.0583333h; deprotection; microwave irradiation; | 86% |
With ethanol; pyridinium p-toluenesulfonate at 55℃; var. reag.: TsOH, MeOH, 25 deg C, 7 h; | 73% |
With pyridinium p-toluenesulfonate In ethanol at 25℃; for 3h; |
2-(chloromethyl)tetrahydropyran
5-hexyl-1-ol
Conditions | Yield |
---|---|
With sodium amide; ferric nitrate In ammonia Whiting's double elimination; | 85% |
With sodium amide In ammonia | 83% |
With Iron(III) nitrate nonahydrate; ammonia; sodium for 4h; Cooling; | 67% |
hex-5-ynoic acid
5-hexyl-1-ol
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃; for 15h; Inert atmosphere; | 82% |
With LiAlH4 In diethyl ether |
1-((hex-5-yn-1-yloxy)methyl)-4-methoxybenzene
5-hexyl-1-ol
Conditions | Yield |
---|---|
With trichlorophosphate In 1,2-dichloro-ethane at 20℃; for 0.833333h; | 80% |
With acetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; sodium nitrite at 20℃; for 18h; Green chemistry; chemoselective reaction; | 72% |
Conditions | Yield |
---|---|
With sodium hydride; ethylenediamine In mineral oil at 0 - 70℃; | 52% |
With sodium amide In various solvent(s) | |
With potassium tert-butylate; lithium; Trimethylenediamine at 20℃; Zipper reaction; Inert atmosphere; |
Conditions | Yield |
---|---|
With indium (III) iodide; Dimethylphenylsilane In dichloromethane at 20℃; for 1.66667h; Inert atmosphere; chemoselective reaction; | A 40% B 22 %Spectr. |
nitrite d'hexyne-5 ol-1
A
5-hexyl-1-ol
B
5-hexynal
C
(hydroxy-3 propyl)-3 isoxazole
Conditions | Yield |
---|---|
In benzene at 10 - 20℃; for 26h; Irradiation; | A 17% B 5% C 11% |
Conditions | Yield |
---|---|
With propane-1,3-diamine potassium salt |
5-hexyn-1-yl acetate
5-hexyl-1-ol
Conditions | Yield |
---|---|
With potassium hydroxide In methanol Heating; |
The 5-Hexyn-1-ol with cas registry number of 928-90-5, is also called 1-Hexyn-6-ol ; 5-Hexynol . The 5-Hexyn-1-ol belongs to the following product categorie: (1)Acetylenes; (2)Acetylenic Alcohols & Their Derivatives; (3)Alkynes; (4)Organic Building Blocks; (5)Terminal .
Physical properties of 5-Hexyn-1-ol :(1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.75; (4)ACD/LogD (pH 7.4): 0.75; (5)ACD/BCF (pH 5.5): 2.2; (6)ACD/BCF (pH 7.4): 2.2; (7)ACD/KOC (pH 5.5): 61.25; (8)ACD/KOC (pH 7.4): 61.25; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.449; (14)Molar Refractivity: 29.2 cm3; (15)Molar Volume: 108.8 cm3; (16)Polarizability: 11.57×10-24cm3; (17)Surface Tension: 35.9 dyne/cm; (18)Enthalpy of Vaporization: 46.99 kJ/mol; (19)Vapour Pressure: 0.572 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 5-Hexyn-1-ol irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:(1)SMILES:C#CCCCCO; (2)InChI:InChI=1/C6H10O/c1-2-3-4-5-6-7/h1,7H,3-6H2; (3)InChIKey:GOQJMMHTSOQIEI-UHFFFAOYAA; (4)Std. InChI:InChI=1S/C6H10O/c1-2-3-4-5-6-7/h1,7H,3-6H2; (5)Std. InChIKey:GOQJMMHTSOQIEI-UHFFFAOYSA-N.