The 2-Hexylthiophene, with the CAS registry number 18794-77-9, belongs to the product categories of Thiophene Flavor; Building Blocks; Heterocyclic Building Blocks; Thiophenes. Its EINECS number is 242-579-4. This chemical's molecular formula is C₁₀H₁₆S and formula weight is 168.30. What's more, both its IUPAC name and systematic name are the same which is called 2-Hexylthiophene.

Physical properties about this chemical are: (1)ACD/LogP: 5.0; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.01; (4)ACD/LogD (pH 7.4): 5.01; (5)ACD/BCF (pH 5.5): 3801.69; (6)ACD/BCF (pH 7.4): 3801.69; (7)ACD/KOC (pH 5.5): 12709.87; (8)ACD/KOC (pH 7.4): 12709.87; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 28.24 Å²; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 52.71 cm³; (15)Molar Volume: 177.7 cm³; (16)Surface Tension: 33 dyne/cm; (17)Density: 0.946 g/cm³; (18)Flash Point: 62.5 °C; (19)Enthalpy of Vaporization: 43.98 kJ/mol; (20)Boiling Point: 222 °C at 760 mmHg; (21)Vapour Pressure: 0.155 mmHg at 25°C.

Preparation: this chemical can be prepared by thiophene and 1-bromo-hexane. This reaction is a kind of metallation. It will need reagent n-BuLi and solvent tetrahydrofuran, hexane, tetrahydrofuran, hexane. The reaction time is 1.5 hours with reaction temperature of 20 ℃. The yield is about 73%.

Uses of 2-Hexylthiophene: it can be used to produce 3-bromo-2-hexyl-thiophene at temperature of -78 °C. This reaction will need reagent n-C₄H₉Li, CH₃OH and solvent diethyl ether. The yield is about 92%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful if swallowed and it may irritate to eyes. 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 gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCC1=CC=CS1
(2)InChI: InChI=1S/C10H16S/c1-2-3-4-5-7-10-8-6-9-11-10/h6,8-9H,2-5,7H2,1H3
(3)InChIKey: QZVHYFUVMQIGGM-UHFFFAOYSA-N