2-Acetyl-3-ethylpyrazine

The Ethanone,1-(3-ethyl-2-pyrazinyl)-, with the CAS registry number 32974-92-8, is also known as 2-Acetyl-3-ethylpyrazine. It belongs to the product categories of Pyrazine; Mono- & Polyalkylpyrazines; Pyrazines; Pyrazine Flavor; A-B; Alphabetical Listings; Flavors and Fragrances. Its EINECS registry number is 251-316-2. This chemical's molecular formula is C₈H₁₀N₂O and molecular weight is 150.18. What's more, its IUPAC name and systematic name are the same which is called 1-(3-Ethylpyrazin-2-yl)ethanone. Additionally, it should be preserved hermetically and put in a cool, dry place. You should ensure that workplaces have good ventilation or exhaust. It's classification code is Anticholinergic. It can be obtained by 2-Ethyl-3-methyl pyrazines and it is used as the flavoring essence.

Physical properties about Ethanone,1-(3-ethyl-2-pyrazinyl)-: (1)ACD/LogP: 1.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.15; (4)ACD/LogD (pH 7.4): 1.15; (5)ACD/BCF (pH 5.5): 4.42; (6)ACD/BCF (pH 7.4): 4.42; (7)ACD/KOC (pH 5.5): 100.86; (8)ACD/KOC (pH 7.4): 100.86; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.85 Å²; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 42.01 cm³; (15)Molar Volume: 140.2 cm³; (16)Surface Tension: 42.1 dyne/cm; (17)Density: 1.07 g/cm³; (18)Flash Point: 86.7 °C; (19)Enthalpy of Vaporization: 48.45 kJ/mol; (20)Boiling Point: 247.3 °C at 760 mmHg; (21)Vapour Pressure: 0.0258 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1nccnc1CC)C
(2) InChI: InChI=1/C8H10N2O/c1-3-7-8(6(2)11)10-5-4-9-7/h4-5H,3H2,1-2H3
(3) InChIKey: PPJSYGVFDJEMRP-UHFFFAOYAQ