2-HEXANOL
2-Hexanol
CAS: 626-93-7
Molecular Formula: C6H14O
2-HEXANOL - Names and Identifiers
| Name | 2-Hexanol |
| Synonyms | 2-HEXANOL 2-Hexanol hexan-2-ol Hexanol-(2) 2-HEXYL ALCOHOL BUTYL METHYL CARBINOL N-BUTYLMETHYLCARBINOL |
| CAS | 626-93-7 |
| EINECS | 210-971-4 |
| InChI | InChI=1/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3 |
| InChIKey | QNVRIHYSUZMSGM-UHFFFAOYSA-N |
2-HEXANOL - Physico-chemical Properties
| Molecular Formula | C6H14O |
| Molar Mass | 102.17 |
| Density | 0.814 g/mL at 20 °C0.81 g/mL at 25 °C (lit.) |
| Melting Point | -23 °C |
| Boling Point | 136 °C (lit.) |
| Flash Point | 115°F |
| Water Solubility | Soluble in water (13 g/L at 25°C), |
| Appearance | Liquid |
| Color | Clear colorless |
| BRN | 1718996 |
| pKa | 15.31±0.20(Predicted) |
| Storage Condition | Flammables area |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents. Mixtures with air may be explosive. |
| Refractive Index | n20/D 1.414(lit.) |
2-HEXANOL - Risk and Safety
| Risk Codes | R10 - Flammable R36/37/38 - Irritating to eyes, respiratory system and skin. R22 - Harmful if swallowed |
| Safety Description | S16 - Keep away from sources of ignition. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| UN IDs | UN 2282 3/PG 3 |
| WGK Germany | 1 |
| RTECS | MO8470000 |
| TSCA | Yes |
| HS Code | 29051990 |
| Hazard Class | 3.2 |
| Packing Group | III |
2-HEXANOL - Reference Information
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| production method | 1. Preparation Method: In the reaction flask equipped with stirrer, dropping funnel, thermometer, add mercury acetate 31.9g(0.1mol), water 100mL, stir to dissolve Mercury acetate, add 100mL Tetrahydrofuran, an orange-yellow color was generated immediately. After stirring for 15min, 8.5g(0.1mol) of 1-hexene (2) was added and the reaction stirred at room temperature for 1H to complete the hydroxylation. Under vigorous stirring, 1.9 ml of 3mol/L sodium hydroxide solution was added, and the solution prepared by dissolving 0.05g (100 mol) of sodium borohydride in 3mol/L sodium hydroxide was added dropwise, the temperature of the reaction solution was controlled by the dropping acceleration at about 25 °c. If necessary, it can be cooled with a water bath. The rapid formation of elemental mercury in the reaction. The reaction was vigorously stirred at room temperature for 3H and placed in a separatory funnel overnight. Mercury (19.25g,96%) and water were separated and the organic layer was retained. The aqueous layer was saturated with sodium chloride, extracted with ether (3ml x 2), the organic layers were combined, the solvent was distilled off under reduced pressure and the distillation was stopped when two phases appeared. 50ml of diethyl ether and 20ml of water were added. The ether layer was separated, washed four times with water, and dried with calcium phosphate anhydrous. The ether was distilled off first, and the residue was continued to be distilled. The fraction at 136 to 140 ° C. Was collected to obtain 6.9g of 2-hexanol (1) in a yield of 68%. [22] |
Last Update：2024-04-10 22:29:15
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