1-Ethylcyclohexanol CAS#: 1940-18-7; ChemWhat Code: 115394
Identification
| Product Name | 1-Ethylcyclohexanol |
| IUPAC Name | 1-ethylcyclohexan-1-ol |
| Molecular Structure |  |
| CAS Registry Number | 1940-18-7 |
| EINECS Number | No data available |
| MDL Number | MFCD00021402 |
| Beilstein Registry Number | No data available |
| Synonyms | 1-ethylcyclohexanol1-ethylcyclohexan-1-ol1-hydroxy-1-ethylcyclohexane |
| Molecular Formula | C8H16O |
| Molecular Weight | 128.21 |
| InChI | InChI=1S/C8H16O/c1-2-8(9)6-4-3-5-7-8/h9H,2-7H2,1H3 |
| InChI Key | BUCJHJXFXUZJHL-UHFFFAOYSA-N |
| Canonical SMILES | CCC1(CCCCC1)O |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| CN114276242 | Preparation method of acid-sensitive photoresist resin monomer | 2022 |
Physical Data
| Appearance | Colorless to pale yellow transparent liquid or solid |
| Solubility | No data available |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | No data available |
| Melting Point, °C | Solvent (Melting Point) |
| 34.5 – 35 | petroleum ether |
| 29 – 30 | |
| 31 – 35 | |
| 34.5 | |
| 33 |
| Boiling Point, °C | Pressure (Boiling Point), Torr |
| 77 – 78 | 25 |
| 80 – 81 | 25 |
| 60 – 61 | 7 |
| 86 – 87 | 30 |
| 141 | 15 |
| 76.5 | 20 |
| Density, g·cm-3 | Reference Temperature, °C | Measurement Temperature, °C |
| 0.9203 | 4 | 25 |
| 0.9226 | 4 | 25 |
| 0.9227 | 4 | 25 |
| 0.927 | 21.5 |
| Refractive Index | Wavelength (Refractive Index), nm | Temperature (Refractive Index), °C |
| 1.4616 | 589 | 25 |
| 1.4649 | 589 | 15 |
| 1.4633 | 589 | 20 |
| 1.4653 | 589 | 20 |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Temperature (NMR Spectroscopy), °C | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts, Spectrum | 1H | chloroform-d1 | 500 | |
| Chemical shifts, Spectrum | 13C | chloroform-d1 | 101 | |
| Chemical shifts | 1H | CDCl3 | ||
| Chemical shifts | 13C | CDCl3 |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) | Comment (IR Spectroscopy) |
| ATR (attenuated total reflectance), Bands | film | |
| Bands | neat (no solvent) | 3370 cm**(-1) |
| IR | ||
| Bands |
| Description (Mass Spectrometry) |
| gas chromatography mass spectrometry (GCMS), spectrum |
| MALDI (Matrix assisted laser desorption ionization), spectrum |
| electron impact (EI), spectrum |
| gas chromatography mass spectrometry (GCMS), electron impact (EI), spectrum |
Route of Synthesis (ROS)
| Conditions | Yield |
| With ethanol; lithium; nickel dichloride; poly(4-vinylbiphenyl-co-divinylbenzene) In tetrahydrofuran at 20℃; for 12h; | 95% |
| With sodium tetrahydroborate; copper(ll) sulfate pentahydrate; cobalt(II) chloride hexahydrate In methanol at 20℃; for 0.333333h; | 94% |
| With sodium tetrahydroborate; hydrogen; nickel dichloride In isopropyl alcohol at 60℃; under 760.051 Torr; for 8h; | 92% |
Safety and Hazards
| Pictogram(s) |  |
| Signal | Warning |
| GHS Hazard Statements | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
| Precautionary Statement Codes | P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | Under the room temperature and away from light |
| HS Code | 290619 |
| Storage | Under the room temperature and away from light |
| Shelf Life | 1 year |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 128.214 |
| logP | 2.104 |
| HBA | 1 |
| HBD | 1 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 20.23 |
| Rotatable Bond (RotB) | 1 |
| Matching Veber Rules | 2 |
| Use Pattern |
| 1-Ethylcyclohexanol CAS#: 1940-18-7 used in photoresist raw materials. |
| 1-Ethylcyclohexanol CAS#: 1940-18-7 used in semiconductor materials. |
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| Warshel Chemical Ltd | http://www.warshel.com/ |
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