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5-Hexen-1-ol (821-41-0)

Identification
Name:5-Hexen-1-ol
Synonyms:1-Hexen-6-ol;5-Hexene-1-ol;6-Hydroxy-1-hexene;5-Hexenol;
CAS:821-41-0
EINECS: 212-477-4
Molecular Formula: C6H12O
Molecular Weight: 100.1589
InChI: InChI=1S/C6H12O/c1-2-3-4-5-6-7/h2,7H,1,3-6H2
Molecular Structure: (C6H12O) 1-Hexen-6-ol;5-Hexene-1-ol;6-Hydroxy-1-hexene;5-Hexenol;
Properties
Transport:UN 1987
Melting Point: <-20°C
Flash Point: 47 ºC
Boiling Point: 78-80 °C25 mm Hg(lit.)
Density:0.834
Refractive index:1.435
Appearance:clear colourless liquid
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

Packinggroup: III
Flash Point: 47 ºC
Storage Temperature: Flammables area
Safety Data
Hazard Symbols F: Flammable