1-Ethylcyclopentanol CAS#: 1462-96-0; 凯望编码 (ChemWhat Code): 124125
Identification
| 英文名 | 1-Ethylcyclopentanol |
| IUPAC Name | 1-ethylcyclopentan-1-ol |
| 分子结构 |  |
| CAS编号 | 1462-96-0 |
| EINECS Number | No data available |
| MDL Number | MFCD00019281 |
| Beilstein Registry Number | No data available |
| 别名 | 1-ethylcyclopentanol1-ethylcyclopentan-1-olethylcyclopentanol |
| 分子式 | C7H14O |
| 分子量 | 114.19 |
| InChI | InChI=1S/C7H14O/c1-2-7(8)5-3-4-6-7/h8H,2-6H2,1H3 |
| InChI Key | LPCWIFPJLFCXRS-UHFFFAOYSA-N |
| Canonical SMILES | CCC1(CCCC1)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 |
| -1.3 |
| -10 |
| -8 |
| Boiling Point, °C | Pressure (Boiling Point), Torr |
| 156 – 158 | |
| 170 – 171 | 760 |
| 77 – 80 | 46 |
| 85 – 87 | 70 |
| Density, g·cm-3 | Reference Temperature, °C | Measurement Temperature, °C |
| 0.905 | 4 | 35 |
| 0.9184 | 4 | 20 |
| 0.893 | 4 | 50 |
| 0.9225 | 4 | 15 |
| Refractive Index | Wavelength (Refractive Index), nm | Temperature (Refractive Index), °C |
| 1.452 | 589 | 20 |
| 1.4536 | 589 | 20 |
| 1.4498 | 589 | 25 |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Temperature (NMR Spectroscopy), °C | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts, Spectrum | 1H | chloroform-d1 | 24.84 | 400 |
| Chemical shifts, Spectrum | 13C | chloroform-d1 | 24.84 | 101 |
| Chemical shifts | 1H | CDCl3 | ||
| Chemical shifts | 13C | |||
| NMR |
| Description (IR Spectroscopy) |
| IR |
| Description (Mass Spectrometry) | Comment (Mass Spectrometry) |
| electron impact (EI), spectrum | |
| fragmentation pattern | metastable ions |
Route of Synthesis (ROS)
| Conditions | Yield |
| Stage #1: 1-ethylcyclopentanol With pyridine In dichloromethane at 0℃; for 0.0833333h; Inert atmosphere; Stage #2: 2-Bromoacetyl bromide In dichloromethane at 0℃; for 20h; Inert atmosphere; | 84% |
| With 1,8-diazabicyclo[5.4.0]undec-7-ene In 1-methyl-pyrrolidin-2-one at 20℃; for 4h; Cooling with ice; |
Safety and Hazards
| Pictogram(s) |   |
| Signal | Warning |
| GHS Hazard Statements | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
| Precautionary Statement Codes | P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P303+P361+P353, P305+P351+P338, P330, P337+P317, P370+P378, P403+P235, 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 | |
| 分子量 | 114.188 |
| logP | 1.535 |
| 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-Ethylcyclopentanol CAS#: 1462-96-0 used in photoresist raw materials. |
| 1-Ethylcyclopentanol CAS#: 1462-96-0 used in semiconductor materials. |
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认证生产商 | |
| Warshel Chemical Ltd | http://www.warshel.com/ |
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其他供应商 | |
| Watson International Limited | 访问Watson官网 |
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