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CAS No.: | 821-41-0 |
---|---|
Name: | 5-Hexen-1-ol |
Article Data: | 103 |
Molecular Structure: | |
Formula: | C6H12O |
Molecular Weight: | 100.161 |
Synonyms: | 1-Hexen-6-ol;5-Hexene-1-ol;6-Hydroxy-1-hexene;5-Hexenol; |
EINECS: | 212-477-4 |
Density: | 0.833 g/cm3 |
Melting Point: | <-20 °C |
Boiling Point: | 149.9 °C at 760 mmHg |
Flash Point: | 47.2 °C |
Solubility: | Miscible with water. |
Appearance: | clear colourless liquid |
Hazard Symbols: | F |
Risk Codes: | 10 |
Safety: | 16 |
Transport Information: | UN 1987 3/PG 3 |
PSA: | 20.23000 |
LogP: | 1.33500 |
2-iodomethyltetrahydropyran
5-Hexen-1-ol
Conditions | Yield |
---|---|
With indium In methanol for 4.5h; sonication; | 95% |
With dimethylboron bromide; tetra-(n-butyl)ammonium iodide; triethylamine In dichloromethane at 0℃; for 0.5h; | 82% |
(S)-4-(but-3-enyl)-2,2-dimethyl-1,3-dioxolane
5-Hexen-1-ol
Conditions | Yield |
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With water; acetic acid | 95% |
Conditions | Yield |
---|---|
With dimethylamine borane In ethanol at 25℃; for 0.5h; Reagent/catalyst; Time; | 95% |
With palladium on activated charcoal; hydrogen In water at 25℃; under 760.051 Torr; for 1.5h; | 68% |
With quinoline; hydrogen In methanol; water at 20℃; under 760.051 Torr; for 0.433333h; chemoselective reaction; | |
With hydrogen In ethanol at 20℃; under 760.051 Torr; for 3.4h; Schlenk technique; Sealed tube; chemoselective reaction; | > 99 %Chromat. |
With Dimethylphenylsilane; water In dimethyl sulfoxide at 70℃; for 0.333333h; Inert atmosphere; stereoselective reaction; |
ethyl hex-5-enoate
5-Hexen-1-ol
Conditions | Yield |
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With lithium aluminium tetrahydride In diethyl ether | 93% |
Conditions | Yield |
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With rhenium(VII) oxide; triphenylphosphine at 165℃; for 1h; Reagent/catalyst; Concentration; Temperature; | 91% |
With rac-3-octanol at 170℃; for 1h; | 38% |
Conditions | Yield |
---|---|
at 700℃; for 2h; | 87% |
With tert-butoxide; 18-crown-6 ether In tetrahydrofuran for 1.85h; Heating; | 72% |
2-(bromomethyl)tetrahydro-2H-pyran
5-Hexen-1-ol
Conditions | Yield |
---|---|
Stage #1: 2-(bromomethyl)tetrahydro-2H-pyran With sodium In diethyl ether for 2h; Metallation; Heating; Stage #2: With water Hydrolysis; | 87% |
With sodium | 76% |
With Na; pyridinium p-toluenesulfonate 1.) MeOH; 2.) CDCl3; Multistep reaction; |
5-Hexen-1-ol
Conditions | Yield |
---|---|
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane; water for 18h; Ambient temperature; | 85% |
2-(chloromethyl)tetrahydropyran
5-Hexen-1-ol
Conditions | Yield |
---|---|
With sodium In diethyl ether for 16h; | 83.5% |
With diethyl ether; sodium |
6-(tetrahydropyran-2-yloxy)hex-1-ene
5-Hexen-1-ol
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In methanol for 4h; Ambient temperature; | 82% |
With ammonium chloride at 20℃; for 0.166667h; Yield given; |
The CAS register number of 5-Hexen-1-ol is 821-41-0. It also can be called as Hex-5-en-1-ol and the IUPAC name about this chemical is hex-5-en-1-ol. It belongs to the following product categories, such as omega-Functional Alkanols, Carboxylic Acids, Amines & Halides, omega-Unsaturated Alkanols and so on. This chemical is flammable. When you are using it, please keep away from sources of ignition.
Physical properties about 5-Hexen-1-ol are: (1)ACD/LogP: 1.50; (2)ACD/LogD (pH 5.5): 1.5; (3)ACD/LogD (pH 7.4): 1.5; (4)ACD/BCF (pH 5.5): 8.08; (5)ACD/BCF (pH 7.4): 8.08; (6)ACD/KOC (pH 5.5): 155.3; (7)ACD/KOC (pH 7.4): 155.3; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 9.23Å2; (12)Index of Refraction: 1.43; (13)Molar Refractivity: 31.1 cm3; (14)Molar Volume: 120.1 cm3; (15)Polarizability: 12.33x10-24cm3; (16)Surface Tension: 28 dyne/cm; (17)Enthalpy of Vaporization: 45.06 kJ/mol; (18)Vapour Pressure: 1.5 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-chloromethyl-tetrahydro-pyran. This reaction will need reagent Na and solvent diethyl ether. The reaction time is 16 hour(s). The yield is about 83.5%.
Uses of hex-5-en-1-ol: it can be used to produce 6-bromo-hex-1-ene at Heating. This reaction will need reagent phosphorus tribromide, pyridine and solvent diethyl ether with reaction time of 3 hours. The yield is about 75%.
You can still convert the following datas into molecular structure:
(1)SMILES: OCCCC\C=C
(2)InChI: InChI=1/C6H12O/c1-2-3-4-5-6-7/h2,7H,1,3-6H2
(3)InChIKey: UIZVMOZAXAMASY-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C6H12O/c1-2-3-4-5-6-7/h2,7H,1,3-6H2
(5)Std. InChIKey: UIZVMOZAXAMASY-UHFFFAOYSA-N