CAS No.: 91-53-2 — Ethoxyquin (-)

1. Primary Information

English name:	Ethoxyquin
CAS No.:	91-53-2
Molecular formula:	C₁₄H₁₉NO
Molecular weight:	217.31 g/mol
SMILES:	CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C
Structural class:
Other identifiers:	1,2-Dihydro-6-Ethoxy-2,2,4-Trimethylquinoline 6-ethoxy-2,2,4-trimethyl-1,2-dihydroquinoline 6-ETMDQ Ethoxyquin Santoquin

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in methanol	80	-20℃；避光	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	208	-20℃；避光	in stock	-
Kehua Intelligence	25g	90%	28	2-8℃	in stock	-
Kehua Intelligence	100g	90%	56	2-8℃	in stock	-
Kehua Intelligence	500g	90%	208	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 35 36 0 0 0 0 0 0 0999 V2000 3.3821 -0.3637 0.3784 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9005 1.2989 -0.0418 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0484 0.4033 -0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6435 -1.0522 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5921 0.8542 0.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3815 -1.5048 0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2805 -0.5199 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9715 0.7059 1.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7816 0.6933 -1.4408 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0653 -0.9115 0.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4486 1.7956 0.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0849 -2.9758 0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0857 0.0378 0.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7778 1.3916 0.2443 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3739 0.4929 -0.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5514 -0.3456 -0.6359 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0676 2.2991 -0.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 -1.7751 -0.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8738 0.0839 1.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2899 1.7552 1.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4636 0.5253 2.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0959 1.7423 -1.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6775 0.0708 -1.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1356 0.5032 -2.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3424 -1.9627 0.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2237 2.8603 0.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9972 -3.5789 -0.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5853 -3.2532 0.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4473 -3.2612 -0.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5355 2.1647 0.3272 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9974 1.0293 -1.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7003 1.2138 0.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3376 0.2816 -1.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9688 -0.9071 0.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2378 -1.0812 -1.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 6 2 0 0 0 0 4 18 1 0 0 0 0 5 7 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 10 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 13 2 0 0 0 0 10 25 1 0 0 0 0 11 14 2 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

6-ethoxy-2,2,4-trimethyl-1H-quinoline

4.2 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

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)