TRANS-2-HEXEN-1-OL

The 2-Hexen-1-ol, with the CAS registry number 2305-21-7, is also known as NSC142553. Its EINECS registry number is 213-191-2. This chemical's molecular formula is C₆H₁₂O and molecular weight is 100.15888. Its IUPAC name is called hex-2-en-1-ol.

Physical properties of 2-Hexen-1-ol: (1)ACD/LogP: 1.76; (2)ACD/LogD (pH 5.5): 1.75; (3)ACD/LogD (pH 7.4): 1.75; (4)ACD/BCF (pH 5.5): 12.7; (5)ACD/BCF (pH 7.4): 12.7; (6)ACD/KOC (pH 5.5): 214.59; (7)ACD/KOC (pH 7.4): 214.59; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.442; (12)Molar Refractivity: 31.43 cm³; (13)Molar Volume: 118.6 cm³; (14)Surface Tension: 28.7 dyne/cm; (15)Density: 0.843 g/cm³; (16)Flash Point: 61.7 °C; (17)Enthalpy of Vaporization: 46.15 kJ/mol; (18)Boiling Point: 159.6 °C at 760 mmHg; (19)Vapour Pressure: 0.873 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-(1-chlorobutyl)oxirane. This reaction will need reagent lithium powder and solvent tetrahydrofuran. The yield is about 58%.

Uses of 2-Hexen-1-ol: it can be used to produce hex-2-enal at temperature of 5 °C. This reaction will need reagent potassium dichromate and diluted H₂SO₄.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCC=CCO
(2)InChI: InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3
(3)InChIKey: ZCHHRLHTBGRGOT-UHFFFAOYSA-N