The 1-Octene, with the CAS registry number 111-66-0, is also known as 1-Caprylene. It belongs to the product categories of 1-Olefins (GC Standard); Analytical Chemistry; Standard Materials for GC; N-OAnalytical Standards; Alpha Sort; Alphabetic; Volatiles/Semivolatiles; Acyclic; Alkenes; Organic Building Blocks; Hydrocarbons; NeatsAnalytical Standards; OGasoline, Diesel & Petroleum; Olefins; Substance classes. Its EINECS number is 203-893-7. This chemical's molecular formula is C₈H₁₆ and molecular weight is 112.21. What's more, its IUPAC name is oct-1-ene. It should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from oxides, acids, heat and fire. It is used in the area of organic synthesis. It can be used to prepare plasticizer and surface active agent. 1-Octene is a higher olefin, or alkene. It is one of the important linear alpha olefins in industry. The primary use of it is as a comonomer in production of polyethylene. Another significant use of it is for production of linear aldehyde via OXO Synthesis (hydroformylation) for later production of the short-chain fatty acid nonanoic acid, a carboxylic acid, by oxidation of an intermediate aldehyde or linear alcohols for plasticizer application by hydrogenation of the aldehyde.

Physical properties of 1-Octene are: (1)ACD/LogP: 4.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.5; (4)ACD/BCF (pH 5.5): 1538.72; (5)ACD/KOC (pH 5.5): 6652.22; (6)#Freely Rotating Bonds: 5; (7)Index of Refraction: 1.413; (8)Molar Refractivity: 38.83 cm³; (9)Molar Volume: 155.6 cm³; (10)Surface Tension: 22.5 dyne/cm; (11)Density: 0.72 g/cm³; (12)Flash Point: 21.1 °C; (13)Enthalpy of Vaporization: 34.07 kJ/mol; (14)Boiling Point: 120.9 °C at 760 mmHg; (15)Vapour Pressure: 17.9 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-bromo-octane at the ambient temperature. This reaction will need reagent KOH, triisopropylsilanol and solvent dimethylformamide. The yield is about 97%.

Uses of 1-Octene: it can be used to produce 1-chloro-octan-2-ol by heatibng. It will need reagent chloramine T, H₂SO₄ and solvent acetone, H₂O. The yield is about 75%.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so you should keep it away from sources of ignition - No smoking. It is toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. It is harmful as it may cause lung damage if swallowed. This material and its container must be disposed of as hazardous waste. It should be avoided releasing to the environment just refering to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCC=C
(2)InChI: InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
(3)InChIKey: KWKAKUADMBZCLK-UHFFFAOYSA-N