1-Ethylcyclopentanol CAS#: 1462-96-0

By great_watson-int,
Structure of 1-Ethylcyclopentanol CAS 1462-96-0
IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

英文名1-Ethylcyclopentanol
IUPAC Name1-ethylcyclopentan-1-ol
分子结构Structure of 1-Ethylcyclopentanol CAS 1462-96-0
CAS编号 1462-96-0
EINECS NumberNo data available
MDL NumberMFCD00019281
Beilstein Registry NumberNo data available
别名1-ethylcyclopentanol1-ethylcyclopentan-1-olethylcyclopentanol
分子式C7H14O
分子量114.19
InChIInChI=1S/C7H14O/c1-2-7(8)5-3-4-6-7/h8H,2-6H2,1H3
InChI KeyLPCWIFPJLFCXRS-UHFFFAOYSA-N
Canonical SMILESCCC1(CCCC1)O
Patent Information
Patent IDTitlePublication Date
CN114276242Preparation method of acid-sensitive photoresist resin monomer2022

Physical Data

AppearanceColorless to pale yellow transparent liquid or solid
SolubilityNo data available
Flash PointNo data available
Refractive indexNo data available
SensitivityNo data available
Melting Point, °C
-1.3
-10
-8
Boiling Point, °CPressure (Boiling Point), Torr
156 – 158
170 – 171760
77 – 8046
85 – 8770
Density, g·cm-3Reference Temperature, °CMeasurement Temperature, °C
0.905435
0.9184420
0.893450
0.9225415
Refractive IndexWavelength (Refractive Index), nmTemperature (Refractive Index), °C
1.45258920
1.453658920
1.449858925

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Temperature (NMR Spectroscopy), °C Frequency (NMR Spectroscopy), MHz
Chemical shifts, Spectrum1Hchloroform-d124.84400
Chemical shifts, Spectrum13Cchloroform-d124.84101
Chemical shifts1HCDCl3
Chemical shifts13C
NMR
Description (IR Spectroscopy)
IR
Description (Mass Spectrometry)Comment (Mass Spectrometry)
electron impact (EI), spectrum
fragmentation patternmetastable ions

Route of Synthesis (ROS)

Route of Synthesis (ROS) of 1-Ethylcyclopentanol CAS# 1462-96-0
Route of Synthesis (ROS) of 1-Ethylcyclopentanol CAS# 1462-96-0
ConditionsYield
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)flameexclamation-mark
SignalWarning
GHS Hazard StatementsH226 (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 CodesP210, 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

TransportationUnder the room temperature and away from light
HS Code290619
StorageUnder the room temperature and away from light
Shelf Life1 year
Market PriceUSD
Druglikeness
Lipinski rules component
分子量114.188
logP1.535
HBA1
HBD1
Matching Lipinski Rules4
Veber rules component
Polar Surface Area (PSA)20.23
Rotatable Bond (RotB)1
Matching Veber Rules2
Use Pattern
1-Ethylcyclopentanol CAS#: 1462-96-0 used in photoresist raw materials.
1-Ethylcyclopentanol CAS#: 1462-96-0 used in semiconductor materials.