4-Penten-2-ol

The 4-Penten-2-ol, with the CAS registry number of 625-31-0, is also known as Allyl methyl carbinol and 1-Penten-4-ol. Its EINECS registry number is 210-887-8. This chemical's molecular formula is C₅H₁₀O and molecular weight is 86.13. What's more, its IUPAC name is Pent-4-en-2-ol. In addition, it should be stored in dry, cool, airtight place. And keep the storage place way from oxidant.

Physical properties about 4-Penten-2-ol are: (1)ACD/LogP: 0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.91; (4)ACD/LogD (pH 7.4): 0.91; (5)ACD/BCF (pH 5.5): 2.87; (6)ACD/BCF (pH 7.4): 2.87; (7)ACD/KOC (pH 5.5): 74.02; (8)ACD/KOC (pH 7.4): 74.02; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.421; (14)Molar Refractivity: 26.43 cm³; (15)Molar Volume: 104 cm³; (16)Polarizability: 10.47×10^-24 cm³; (17)Surface Tension: 25.6 dyne/cm; (18)Density: 0.827 g/cm³; (19)Flash Point: 25.6 °C; (20)Enthalpy of Vaporization: 41.25 kJ/mol; (21)Boiling Point: 115.5 °C at 760 mmHg; (22)Vapour Pressure: 9.56 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of 3-Bromo-propene with Acetaldehyde at heating. The reaction needs reagent Mg and solvent Diethyl ether. The reaction time is 5 hours. The yield is about 80 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 4-Bromo-pent-1-ene. The reaction needs reagent PBr₃ and solvent Diethyl ether. Other condition of this reaction is reaction time of 90 minutes at 0 °C.

When you are using this chemical, please be cautious about it as the following: 
As a chemical, it may cause damage to health. The vapour of this chemical can not be breathed. And you should avoid contacting with skin and eyes. Besides, this chemical is highly flammable, and it may catch fire in contact with an ignition source. Hence, keep it away from sources of ignition.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(C)C\C=C
(2) InChI: InChI=1/C5H10O/c1-3-4-5(2)6/h3,5-6H,1,4H2,2H3
(3) InChIKey: ZHZCYWWNFQUZOR-UHFFFAOYAI