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3-Hydroxy-6-methylpyridine

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Name

3-Hydroxy-6-methylpyridine

EINECS 214-337-8
CAS No. 1121-78-4 Density 1.12 g/cm3
PSA 33.12000 LogP 1.09560
Solubility N/A Melting Point 168-170 ºC(lit.)
Formula C6H7NO Boiling Point 295.8 ºC at 760 mmHg
Molecular Weight 109.128 Flash Point 132.7 ºC
Transport Information N/A Appearance beige to light tan crystalline powder
Safety 26-39-24/25-36-22 Risk Codes 22-37/38-41-40-36/37/38
Molecular Structure Molecular Structure of 1121-78-4 (3-Hydroxy-6-methylpyridine) Hazard Symbols HarmfulXn,IrritantXi
Synonyms

3-Pyridol,6-methyl- (4CI);2-Methyl-5-hydroxypyridine;2-Methyl-5-pyridinol;5-Hydroxy-2-methylpyridine;5-Hydroxy-2-picoline;6-Methyl-3-hydroxypyridine;6-Methyl-3-pyridinol;NSC 27963;

Article Data 34

3-Hydroxy-6-methylpyridine Specification

The IUPAC name of 3-Pyridinol, 6-methyl- is 6-methylpyridin-3-ol. With the CAS registry number 1121-78-4, it is also named as 2-Methyl-5-hydroxypyridine. The product's categories are Pyridine Series; Pyridines, Pyrimidines, Purines and Pteredines; Pyridine; Heterocycles. It is beige to light tan crystalline powder which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.45; (4)ACD/LogD (pH 7.4): 0.69; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.57; (7)ACD/KOC (pH 5.5): 21.4; (8)ACD/KOC (pH 7.4): 36.64; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.55; (13)Molar Refractivity: 31.05 cm3; (14)Molar Volume: 97.3 cm3; (15)Polarizability: 12.3×10-24 cm3; (16)Surface Tension: 46.3 dyne/cm; (17)Enthalpy of Vaporization: 55.7 kJ/mol; (18)Vapour Pressure: 0.000846 mmHg at 25°C; (19)Tautomer Count: 3; (20)Exact Mass: 109.052764; (21)MonoIsotopic Mass: 109.052764; (22)Topological Polar Surface Area: 33.1; (23)Heavy Atom Count: 8; (24)Complexity: 74.9.

Preparation of 3-Pyridinol, 6-methyl-: It can be obtained by furfurylamine and formaldehyde. This reaction needs reagent aq. HCl. The yield is 62%.

Uses of 3-Pyridinol, 6-methyl-: It can react with toluene-4-sulfonyl chloride to get toluene-4-sulfonic acid 6-methyl-pyridin-3-yl ester. This reaction needs reagent triethylamine and solvent dimethylformamide at temperature of 95 °C. The reaction time is 2.5 hours. The yield is 81%.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful if swallowed, but also irritating to eyes, respiratory system and skin. It also has limited evidence of a carcinogenic effect and has risk of serious damage to the eyes. So people should not breathe dust and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing and eye / face protection.

People can use the following data to convert to the molecule structure. 
1. SMILES:Oc1cnc(cc1)C
2. InChI:InChI=1/C6H7NO/c1-5-2-3-6(8)4-7-5/h2-4,8H,1H3
3. InChIKey:DHLUJPLHLZJUBW-UHFFFAOYAK

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 846mg/kg (846mg/kg)   Toxicon. Vol. 23, Pg. 815, 1985.

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