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2-Hexanol
2-Hexanol (hexan-2-ol) is a six-carbon alcohol in which the hydroxy group (OH) is located on the second carbon atom. Its chemical formula is C6H14O or C6H13OH. It is an isomer of the other hexanols. 2-Hexanol has a chiral center and can be resolved into two different enantiomers.
| Column 1 | Column 2 |
|---|---|
| Preferred IUPAC name | |
| Hexan-2-ol | |
| CAS Number | .mw-parser-output .plainlist ol,.mw-parser-output .plainlist ul{line-height:inherit;list-style:none;margin:0;padding:0}.mw-parser-output .plainlist ol li,.mw-parser-output .plainlist ul li{margin-bottom:0}626-93-7 Y |
| 3D model (JSmol) | Interactive image |
| ChEBI | CHEBI:88370 |
| ChEMBL | ChEMBL45425 Y |
| ChemSpider | 11794 Y |
| ECHA InfoCard | 100.009.975 |
| PubChem CID | 12297 |
| UNII | 9CDT0V6T4P Y |
| CompTox Dashboard (EPA) | DTXSID30893088 |
| InChI | |
| InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3 YKey: QNVRIHYSUZMSGM-UHFFFAOYSA-N YInChI=1/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3Key: QNVRIHYSUZMSGM-UHFFFAOYAA | |
| SMILES | |
| OC(C)CCCC | |
| Chemical formula | C6H14O |
| Molar mass | 102.177 g·mol−1 |
| Density | 0.81 g/mL |
| Melting point | −23 °C (−9 °F; 250 K) |
| Boiling point | 140 °C (284 °F; 413 K) |
| Solubility in water | 14 g/L |
| Solubility | soluble in ethanol, diethyl ether |
| Std enthalpy offormation (ΔfH⦵298) | −392.0 kJ·mol−1 (liquid) −333.5 kJ·mol−1 (gas) |
| Flash point | 45 °C (113 °F; 318 K) |
| Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). | |
| Y verify (what is YN ?) |
Infobox references | |
2-Hexanol (hexan-2-ol) is a six-carbon alcohol in which the hydroxy group (OH) is located on the second carbon atom. Its chemical formula is C6H14O or C6H13OH. It is an isomer of the other hexanols. 2-Hexanol has a chiral center and can be resolved into two different enantiomers.
Its toxicity is based on metabolism to hexane-2,5-dione.
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