EA489
2-hexyl-1-decanol
CAS: 2425-77-6
Molecular Formula: C16H34O
EA489 - Names and Identifiers
| Name | 2-hexyl-1-decanol |
| Synonyms | EA489 AI3-19964 Guerbet C16 Hexyldecanol UNII-151Z7P1317 2-hexyl-1-decano 2-hexyl-1-decanol 2-Hexyl-1-decanol 2-Hexyldecan-1-ol 2-HEXYL-1-DECANOL 2-Hexyldecane-1-ol 2-Hexyl-decan-1-ol 1-Decanol, 2-hexyl- Guerbet Hexadecanol 2-Hexyldecyl Alcohol |
| CAS | 2425-77-6 |
| EINECS | 219-370-1 |
| InChI | InChI=1/C16H34O/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16-17H,3-15H2,1-2H3 |
| InChIKey | XULHFMYCBKQGEE-UHFFFAOYSA-N |
EA489 - Physico-chemical Properties
| Molecular Formula | C16H34O |
| Molar Mass | 242.44 |
| Density | 0.836 g/mL at 25 °C (lit.) |
| Melting Point | -21--15 °C (lit.) |
| Boling Point | 193-197 °C/33 mmHg (lit.) |
| Flash Point | 113°C |
| Solubility | Benzene (Sparingly), Chloroform (Sparingly), Methanol (Slightly) |
| Vapor Presure | 0.4Pa at 148.85℃ |
| Appearance | Oil |
| Color | Clear Colourless |
| pKa | 15.08±0.10(Predicted) |
| Storage Condition | Refrigerator |
| Refractive Index | n20/D 1.449(lit.) |
EA489 - Risk and Safety
| WGK Germany | nwg |
EA489 - Reference Information
| LogP | 6.66 at 20℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Use | 2-hexyl-1-decanol is a Gerbert alcohol, which is a branched alcohol obtained by dehydration and condensation of aliphatic alcohols. In the fields of surfactants, fiber oils, softeners, cosmetics, pharmaceuticals, lubricants, etc., Gerbert alcohol is a useful substance used as a direct or intermediate raw material. |
| preparation | a preparation method of isomeric decanol, the steps are as follows:(1) 130g of n-octanol and 3.5g, 45wt% sodium hydroxide aqueous solution are sequentially added to 250ml three-mouth bottles for mixing, stirred at 250rpm for 8min, then raised to 165 ℃ for 3 hours;(2) The mixed solution in step (1) is cooled to 20 ℃, add 0.28g zinc powder, stir for 8min, raise the temperature to 195 ℃, and react for 5h; Then continue to raise the temperature to 240 ℃, react for 30min, and then drop to 20 ℃;(3) the reaction product in step (2) is extracted by adding 120g n-heptane, and washed with water until the pH value is 6-7; The vacuum degree is controlled to be kept at -0.096 ~ 0.098MPa, and the fraction at 170~190 ℃ is collected by distillation under reduced pressure to obtain 111.02g colorless transparent liquid, it is isomeric decanol with a yield of 91.75%. The number average molecular weight of the colorless transparent liquid prepared by WATER gel permeation chromatograph is 238g/ mol,Mw/Mn = 1.05. The hydroxyl content of colorless transparent liquid measured by hydroxyl content titration method is 7.15%, which is 7.02% similar to the theoretical hydroxyl content. The product is determined to be isomeric decanol. The purity of the product was 96.79% by high performance liquid chromatography. |
Last Update：2024-04-09 02:00:07
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