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Ethoxyquin
CAS: 91-53-2 | C14H19NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
91-53-2
Molecular Formula:
C14H19NO
Molecular Mass:
217.31 g/mol
Names and Synonyms:
Ethoxyquin
Quinoline, 6-ethoxy-1,2-dihydro-2,2,4-trimethyl-
6-Ethoxy-1,2-dihydro-2,2,4-trimethylquinoline
1,2-Dihydro-6-ethoxy-2,2,4-trimethylquinoline
1,2-Dihydro-2,2,4-trimethyl-6-ethoxyquinoline
EMQ
EQ
Ethoxyquin
Ethoxyquine
6-Ethoxy-2,2,4-trimethyl-1,2-dihydroquinoline
Santoflex A
Santoflex AW
2,2,4-Trimethyl-6-ethoxy-1,2-dihydroquinoline
Stop-Scald
Niflex
Santoquine
Santoquin
Antioxidant EC
Permanax 103
Amea 100
Dawe's nutrigard
2,2,4-Trimethyl-1,2-dihydro-6-ethoxyquinoline
Quinol ED
Nocrac AW
Niflex D
Antox
Aries Antox
Antage AW
Raluquin
Nonflex AW
Nocrac AW-G
NSC 6795
Tenox II
BIOX-S
Biox SE
AW
Antioxidant AW
Nonflex AW-P
Rendox EQ
Identifiers:
SMILES:
CCOc1ccc2c(c1)C(C)=CC(C)(C)N2
InChI:
InChI=1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3
Key Properties
Boiling Point
123-125 °C @ Press: 2 Torr
CAS Common Chemistry
Melting Point
0 °C (approx)
CAS Common Chemistry
Density
1.029-1.031 g/cm3 @ Temp: 25 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 217.31 g/mol | CAS Common Chemistry |
| 217.31199999999998 g/mol | RDKit | |
| 217.146664228 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ethoxyquin | CAS Common Chemistry |
| Boiling Point | 123-125 °C @ Press: 2 Torr | CAS Common Chemistry |
| Canonical SMILES | O(C=1C=CC=2NC(C=C(C2C1)C)(C)C)CC | CAS Common Chemistry |
| Density | 1.029-1.031 g/cm3 @ Temp: 25 °C | CAS Common Chemistry |
| InChI | InChI=1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DECIPOUIJURFOJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 0 °C (approx) | CAS Common Chemistry |
| Name | Ethoxyquin | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 21.259999999999998 Ų | RDKit |
| LogP | 3.692700000000002 | RDKit |
| Molar Refractivity | 68.96370000000003 | RDKit |
