1,6-Hexanediol diacetate
Hexanedioldiacetate
CAS: 6222-17-9
Molecular Formula: C10H18O4
1,6-Hexanediol diacetate - Names and Identifiers
| Name | Hexanedioldiacetate |
| Synonyms | 1,6-DIACETOXYHEXANE Hexanedioldiacetate HEXAMETHYLENE DIACETATE 1,6-Hexanediol diacetate 1,6-HEXANEDIOL DIACETATE hexane-1,6-diyl diacetate 2-BUTANE-1,4-DIOL DIACETATE 1,6-dihydroxyhexanediacetate 1,6-Hexanediol, 1,6-diacetate |
| CAS | 6222-17-9 |
| InChI | InChI=1/C10H18O4/c1-9(11)13-7-5-3-4-6-8-14-10(2)12/h3-8H2,1-2H3 |
1,6-Hexanediol diacetate - Physico-chemical Properties
| Molecular Formula | C10H18O4 |
| Molar Mass | 202.25 |
| Density | 1.01 |
| Melting Point | 9 °C |
| Boling Point | 103-105°C 6mm |
| Flash Point | 103-105°C/6mm |
| Vapor Presure | 0.0094mmHg at 25°C |
| Appearance | clear liquid |
| Color | Colorless to Almost colorless |
| Storage Condition | Room Temprature |
| Refractive Index | 1.4280-1.4320 |
1,6-Hexanediol diacetate - Risk and Safety
| Safety Description | S23 - Do not breathe vapour. S24/25 - Avoid contact with skin and eyes. |
| RTECS | MO2325000 |
| TSCA | Yes |
1,6-Hexanediol diacetate - Reference Information
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Application | 1, 6-diacetoxyhexane also known as hexanediol diacetate, it can be prepared by reacting 3-bromopropyl acetate as a starting material. It has been reported in the literature to be useful in the preparation of the fungicide 3-(difluoromethyl)-1-methyl -1H-pyrazole-4-carboxylic acid. |
| preparation | at room temperature, 3-bromopropyl acetate (453 mg, 2.50 mmol) add to a solution of CoBr2(10 mol%,0.25 mmol, 55 mg) and manganese powder (3.8 EQ, 9.5 mmol, 500 mg) in CH3CN(3 ml). The manganese powder was activated with a trace amount of trifluoroacetic acid (50 μL) and stirred at room temperature for 5 minutes until the smoke disappeared. Pyridine (0.5mL) was added and stirred at 50°C for 3-6 hours. A solution of 2M HCl(30ml) was added to quench. The solution was extracted with Et2O or EtOAc(3x 50ml), dried over MgSO4, filtered and concentrated in vacuo. Purification by flash chromatography on silica gel gave 1, 6-diacetoxyhexane. |
Last Update：2024-04-10 22:29:15
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