Name: 2-METHYL-3-ISOPROPOXYPYRAZINE
SKU: 94089-22-2

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Basic Information

Molecular Structure:
CAS No.:	94089-22-2
Name:	2-METHYL-3-ISOPROPOXYPYRAZINE

Formula:	C₈H₁₂N₂O
Molecular Weight:	152.1937
Synonyms:	2-methyl-3-(1-methylethoxy)pyrazine;2-methyl-3-propan-2-yloxypyrazine;2-Isopropoxy-3-methylpyrazine;pyrazine, 2-methyl-3-(1-methylethoxy)-;2-methyl-3-(1-methylethoxy)pyrazine;
EINECS:	302-122-2
Density:	1.017 g/cm³
Boiling Point:	195.6 °C at 760 mmHg
Flash Point:	69.5 °C
Appearance:	Colorless clear liquid
Hazard Symbols:	Xn
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	35.01000
LogP:	1.57220

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Specification

The Pyrazine,2-methyl-3-(1-methylethoxy)-, with the CAS registry number 94089-22-2 and EINECS registry number 302-122-2, has the systematic name of 2-methyl-3-(1-methylethoxy)pyrazine. It belongs to the following product categories: Alkoxypyrazines; Mono- & Polyalkylpyrazines; Pyrazines. And the molecular formula of the chemical is C₈H₁₂N₂O.

The characteristics of Pyrazine,2-methyl-3-(1-methylethoxy)- are as followings: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.09; (4)ACD/LogD (pH 7.4): 2.09; (5)ACD/BCF (pH 5.5): 22.85; (6)ACD/BCF (pH 7.4): 22.86; (7)ACD/KOC (pH 5.5): 326.86; (8)ACD/KOC (pH 7.4): 326.89; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.01 Å²; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 43.16 cm³; (15)Molar Volume: 149.5 cm³; (16)Polarizability: 17.11×10^-24cm³; (17)Surface Tension: 36.2 dyne/cm; (18)Density: 1.017 g/cm³; (19)Flash Point: 69.5 °C; (20)Enthalpy of Vaporization: 41.41 kJ/mol; (21)Boiling Point: 195.6 °C at 760 mmHg; (22)Vapour Pressure: 0.583 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(c1nccnc1C)C(C)C
(2)InChI: InChI=1/C8H12N2O/c1-6(2)11-8-7(3)9-4-5-10-8/h4-6H,1-3H3
(3)InChIKey: FRCMVXLVVCXOHO-UHFFFAOYAC