1-Ethylcyclohexanol CAS#: 1940-18-7; 凯望编码 (ChemWhat Code): 115394

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

英文名1-Ethylcyclohexanol
IUPAC Name1-ethylcyclohexan-1-ol
分子结构Structure of 1-Ethylcyclohexanol CAS 1940-18-7
CAS编号 1940-18-7
EINECS NumberNo data available
MDL NumberMFCD00021402
Beilstein Registry NumberNo data available
别名1-ethylcyclohexanol1-ethylcyclohexan-1-ol1-hydroxy-1-ethylcyclohexane
分子式C8H16O
分子量128.21
InChIInChI=1S/C8H16O/c1-2-8(9)6-4-3-5-7-8/h9H,2-7H2,1H3
InChI KeyBUCJHJXFXUZJHL-UHFFFAOYSA-N
Canonical SMILESCCC1(CCCCC1)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 Solvent (Melting Point)
34.5 – 35petroleum ether
29 – 30
31 – 35
34.5
33
Boiling Point, °CPressure (Boiling Point), Torr
77 – 7825
80 – 8125
60 – 617
86 – 8730
14115
76.520
Density, g·cm-3Reference Temperature, °CMeasurement Temperature, °C
0.9203425
0.9226425
0.9227425
0.92721.5
Refractive IndexWavelength (Refractive Index), nmTemperature (Refractive Index), °C
1.461658925
1.464958915
1.463358920
1.465358920

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Temperature (NMR Spectroscopy), °C Frequency (NMR Spectroscopy), MHz
Chemical shifts, Spectrum1Hchloroform-d1500
Chemical shifts, Spectrum13Cchloroform-d1101
Chemical shifts1HCDCl3
Chemical shifts13CCDCl3
Description (IR Spectroscopy)Solvent (IR Spectroscopy)Comment (IR Spectroscopy)
ATR (attenuated total reflectance), Bandsfilm
Bandsneat (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)

Route of Synthesis (ROS) of 1-Ethylcyclohexanol CAS# 1940-18-7
Route of Synthesis (ROS) of 1-Ethylcyclohexanol CAS# 1940-18-7
ConditionsYield
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)exclamation-mark
SignalWarning
GHS Hazard StatementsH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement CodesP264, 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

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128.214
logP2.104
HBA1
HBD1
Matching Lipinski Rules4
Veber rules component
Polar Surface Area (PSA)20.23
Rotatable Bond (RotB)1
Matching Veber Rules2
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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