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5-Hexen-1-ol

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Name

5-Hexen-1-ol

EINECS 212-477-4
CAS No. 821-41-0 Density 0.833 g/cm3
PSA 20.23000 LogP 1.33500
Solubility Miscible with water. Melting Point <-20 °C
Formula C6H12O Boiling Point 149.9 °C at 760 mmHg
Molecular Weight 100.161 Flash Point 47.2 °C
Transport Information UN 1987 3/PG 3 Appearance clear colourless liquid
Safety 16 Risk Codes 10
Molecular Structure Molecular Structure of 821-41-0 (5-Hexen-1-ol) Hazard Symbols FlammableF
Synonyms

1-Hexen-6-ol;5-Hexene-1-ol;6-Hydroxy-1-hexene;5-Hexenol;

Article Data 103

5-Hexen-1-ol Synthetic route

43216-12-2

2-iodomethyltetrahydropyran

821-41-0

5-Hexen-1-ol

Conditions
ConditionsYield
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%
127102-60-7

(S)-4-(but-3-enyl)-2,2-dimethyl-1,3-dioxolane

821-41-0

5-Hexen-1-ol

Conditions
ConditionsYield
With water; acetic acid95%
928-90-5

5-hexyl-1-ol

821-41-0

5-Hexen-1-ol

Conditions
ConditionsYield
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;
54653-25-7

ethyl hex-5-enoate

821-41-0

5-Hexen-1-ol

Conditions
ConditionsYield
With lithium aluminium tetrahydride In diethyl ether93%
106-69-4

hexane-1,2,6-triol

821-41-0

5-Hexen-1-ol

Conditions
ConditionsYield
With rhenium(VII) oxide; triphenylphosphine at 165℃; for 1h; Reagent/catalyst; Concentration; Temperature;91%
With rac-3-octanol at 170℃; for 1h;38%
2009-83-8

6-chloro-1-hexanol

821-41-0

5-Hexen-1-ol

Conditions
ConditionsYield
at 700℃; for 2h;87%
With tert-butoxide; 18-crown-6 ether In tetrahydrofuran for 1.85h; Heating;72%
34723-82-5, 130233-15-7, 130233-16-8

2-(bromomethyl)tetrahydro-2H-pyran

821-41-0

5-Hexen-1-ol

Conditions
ConditionsYield
Stage #1: 2-(bromomethyl)tetrahydro-2H-pyran With sodium In diethyl ether for 2h; Metallation; Heating;
Stage #2: With water Hydrolysis;
87%
With sodium76%
With Na; pyridinium p-toluenesulfonate 1.) MeOH; 2.) CDCl3; Multistep reaction;

6-(allyloxy)hex-1-ene

821-41-0

5-Hexen-1-ol

Conditions
ConditionsYield
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane; water for 18h; Ambient temperature;85%
18420-41-2, 130233-13-5, 130233-14-6

2-(chloromethyl)tetrahydropyran

821-41-0

5-Hexen-1-ol

Conditions
ConditionsYield
With sodium In diethyl ether for 16h;83.5%
With diethyl ether; sodium
77022-44-7

6-(tetrahydropyran-2-yloxy)hex-1-ene

821-41-0

5-Hexen-1-ol

Conditions
ConditionsYield
With toluene-4-sulfonic acid In methanol for 4h; Ambient temperature;82%
With ammonium chloride at 20℃; for 0.166667h; Yield given;

5-Hexen-1-ol Specification

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

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