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2-Methoxy-3-methyl pyrazine

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Name

2-Methoxy-3-methyl pyrazine

EINECS 220-651-6
CAS No. 68378-13-2 Density 1.068 g/cm3
PSA 70.02000 LogP 1.58720
Solubility Soluble in water, alcohol and ether in all proportions and also soluble in acetone. Melting Point N/A
Formula C6H8N2O Boiling Point 159.3 °C at 760 mmHg
Molecular Weight 124.14 Flash Point 55.6 °C
Transport Information UN 1993 Appearance Colorless to slightly yellow liquid
Safety 26-39 Risk Codes 22-36/37/38-41
Molecular Structure Molecular Structure of 68378-13-2 (2-METHOXY-3-METHYLPYRAZINE) Hazard Symbols HarmfulXn
Synonyms

(Methoxy)methylpyrazine;2- (5 or 6)-Methoxy-3-methylpyrazine (mixture of isomers);FEMA No. 3183;2-Methoxy-3(or5)-methylpyrazine;2-Methoxyl-3-methylpyrazine;2-Methyl-3-methoxypyrazine;

 

2-Methoxy-3-methyl pyrazine Specification

The Pyrazine,2-methoxy-3(or 5)-methyl-, with the CAS registry number 68378-13-2, is also known as (Methoxy)methylpyrazine. Its EINECS number is 220-651-6. This chemical's molecular formula is C6H8N2O and formula weight is 124.14. What's more, its IUPAC name is 2-methoxy-3-methylpyrazine.

Physical properties of Pyrazine,2-methoxy-3(or 5)-methyl- are: (1)ACD/LogP: 1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)ACD/BCF (pH 5.5): 4.91; (5)ACD/KOC (pH 5.5): 108.73; (6)#H bond acceptors: 3; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 35.01 Å2; (10)Index of Refraction: 1.496; (11)Molar Refractivity: 33.93 cm3; (12)Molar Volume: 116.1 cm3; (13)Surface Tension: 38.7 dyne/cm; (14)Density: 1.068 g/cm3; (15)Flash Point: 55.6 °C; (16)Enthalpy of Vaporization: 37.96 kJ/mol; (17)Boiling Point: 159.3 °C at 760 mmHg; (18)Vapour Pressure: 3.27 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and is irritating to eyes, respiratory system and skin. It has the risk of serious damage to eyes. In case of contact with eyes, you need rinse immediately with plenty of water and seek medical advice. When using it, you should wear eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=NC=CN=C1OC
(2)InChI: InChI=1S/C6H8N2O/c1-5-6(9-2)8-4-3-7-5/h3-4H,1-2H3
(3)InChIKey: VKJIAEQRKBQLLA-UHFFFAOYSA-N

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