2,5-Dimethylthiophene

The 2,5-Dimethylthiophene, with the cas registry number 638-02-8, has its systematic name of 2,5-dimethylthiophene. This is a kind of colorless to slightly yellow liquid. And its product categories are including Thiophene&Benzothiophene; Heterocyclic Compounds; Thiophens; thiophene Flavor; Building Blocks; Heterocyclic Building Blocks; Thiophenes; Alphabetical Listings; C-D; Flavors and Fragrances.

The characteristics of this chemical are as below: (1)ACD/LogP: 2.82; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.82; (4)ACD/LogD (pH 7.4): 2.82; (5)ACD/BCF (pH 5.5): 81.38; (6)ACD/BCF (pH 7.4): 81.38; (7)ACD/KOC (pH 5.5): 811.24; (8)ACD/KOC (pH 7.4): 811.24; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 28.24; (11)Index of Refraction: 1.527; (12)Molar Refractivity: 34.28 cm³; (13)Molar Volume: 111.4 cm³; (14)Polarizability: 13.59 ×10^-24 cm³; (15)Surface Tension: 32.2 dyne/cm; (16)Density: 1.006 g/cm³; (17)Flash Point: 23.9 °C; (18)Enthalpy of Vaporization: 35.87 kJ/mol; (19)Boiling Point: 136.8 °C at 760 mmHg; (20)Vapour Pressure: 8.98 mmHg at 25°C; (21)Exact Mass: 112.034671; (22)MonoIsotopic Mass: 112.034671; (23)Topological Polar Surface Area: 28.2; (24)Heavy Atom Count: 7; (25)Formal Charge: 0; (26)Complexity: 53.2.

Production method of this chemical is as below: hexane-2,5-dione could react to produce 2,5-Dimethylthiophene, with the following condition: reagent: phosphorus pentasulfide; solvent: CCl4; reaction time: 4 hour; yield: 76%; other condition: heating.

Use of 2,5-Dimethylthiophene: 2,5-Dimethylthiophene could react with acetic acid anhydride to produce 1-(2,5-dimethyl-thiophen-3-yl)-ethanone, with the following condition: reagent: boron fluoride ether adduct.

When you are using this chemical, please be very cautious, and then take some measures to protect yourself. For one thing, being irritant to respiratory system, it may cause inflammation to the skin or other mucous membranes and could cause damage to health. For another thing, it is highly flammable. This chemical may catch fire in contact with air, only needing brief contact with an ignition source, and it has a very low flash point or evolve highly flammable gases in contact with water. Therefore, you should take the following instructions. Wear suitable protective clothing and avoid contacting with skin and eyes. And then take precautionary measures against static discharges and remember not to breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). Lastly, while storing, keep container tightly closed in a cool, well-ventilated place, away from sources of ignition - No smoking. And do not empty into drains. 

Additionally, you could convert the following datas into the molecular structure:
(1)SMILES:s1c(ccc1C)C
(2)InChI:InChI=1/C6H8S/c1-5-3-4-6(2)7-5/h3-4H,1-2H3