TRANS-3-HEXEN-1-OL

The 3-Hexen-1-ol, with the CAS registry number 544-12-7, is also known as 3-Hexen-1-ol, (3E)- and 3-Hexenol. Its EINECS registry number is 213-193-3. This chemical's molecular formula is C₆H₁₂O and molecular weight is 100.16. What's more, its IUPAC name is called (E)-Hex-3-en-ol. When you are dealing with this chemical, you should be very careful. You had better not breathe gas/fumes/vapour/spray. In addition, you should avoid contacting with skin and eyes.

Physical properties about this chemical are: (1)ACD/LogP: 1.61; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.61; (4)ACD/LogD (pH 7.4): 1.61; (5)ACD/BCF (pH 5.5): 9.89; (6)ACD/BCF (pH 7.4): 9.89; (7)ACD/KOC (pH 5.5): 179.47; (8)ACD/KOC (pH 7.4): 179.47; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23Ų; (13)Index of Refraction: 1.442; (14)Molar Refractivity: 31.43 cm³; (15)Molar Volume: 118.6 cm³; (16)Surface Tension: 28.7 dyne/cm; (17)Density: 0.843 g/cm³; (18)Flash Point: 44.4 °C; (19)Enthalpy of Vaporization: 45.8 kJ/mol; (20)Boiling Point: 156.5 °C at 760 mmHg; (21)Vapour Pressure: 1.04 mmHg at 25 °C.

Preparation of 3-Hexen-1-ol: this chemical can be prepared by Hept-1-ene and Formaldehyde.

This reaction needs reagent Me₂AlCl and solvent CH₂Cl₂ at temperature of 25 °C. The reaction time is 2.5 hours. The yield is 78%.

You can still convert the following datas into molecular structure:
(1) SMILES: OCC/C=C/CC
(2) InChI: InChI=1/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3+
(3) InChIKey: UFLHIIWVXFIJGU-ONEGZZNKBX