CAS No.68378-13-2,2-METHOXY-3-METHYLPYRAZINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	68378-13-2
Name:	2-METHOXY-3-METHYLPYRAZINE

Formula:	C₆H₈N₂O
Molecular Weight:	124.14
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;
EINECS:	220-651-6
Density:	1.068 g/cm³
Boiling Point:	159.3 °C at 760 mmHg
Flash Point:	55.6 °C
Solubility:	Soluble in water, alcohol and ether in all proportions and also soluble in acetone.
Appearance:	Colorless to slightly yellow liquid
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38-41
Safety:	26-39
Transport Information:	UN 1993
PSA:	70.02000
LogP:	1.58720

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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