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| CAS No.: | 536-88-9 |
|---|---|
| Name: | 4-ETHYL-2-METHYLPYRIDINE |
| Molecular Structure: | |
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| Formula: | C8H11N |
| Molecular Weight: | 121.182 |
| Synonyms: | 2-Picoline,4-ethyl- (7CI,8CI);2-Methyl-4-ethylpyridine;4-Ethyl-2-methylpyridine;4-Ethyl-2-picoline;α-Collidine; |
| EINECS: | 208-649-3 |
| Density: | 0.919 g/cm3 |
| Melting Point: | -70.9 °C |
| Boiling Point: | 176.9 °C at 760 mmHg |
| Flash Point: | 57 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39-36 |
| Transport Information: | UN 2810 |
| PSA: | 12.89000 |
| LogP: | 1.95240 |
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Specification
The Pyridine, 4-ethyl-2-methyl-, with the CAS registry number 536-88-9, is also known as α-Collidine. Its EINECS registry number is 208-649-3. This chemical's molecular formula is C8H11N and molecular weight is 121.18. What's more, its IUPAC name is 4-Ethyl-2-methylpyridine.
Physical properties about Pyridine, 4-ethyl-2-methyl- are: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.92; (4)ACD/LogD (pH 7.4): 2.09; (5)ACD/BCF (pH 5.5): 1.48; (6)ACD/BCF (pH 7.4): 21.69; (7)ACD/KOC (pH 5.5): 20.22; (8)ACD/KOC (pH 7.4): 297.16; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 38.71 cm3; (15)Molar Volume: 131.7 cm3; (16)Polarizability: 15.34×10-24 cm3; (17)Surface Tension: 32.9 dyne/cm; (18)Density: 0.919 g/cm3; (19)Flash Point: 57 °C; (20)Enthalpy of Vaporization: 39.62 kJ/mol; (21)Boiling Point: 176.9 °C at 760 mmHg; (22)Vapour Pressure: 1.44 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: CCc1ccnc(C)c1
(2) InChI: InChI=1/C8H11N/c1-3-8-4-5-9-7(2)6-8/h4-6H,3H2,1-2H3
(3) InChIKey: KNCHDRLWPAKSII-UHFFFAOYAB