CAS No.: 118-61-6 — Ethyl salicylate (水杨酸乙酯)

1. Primary Information

English name:	Ethyl salicylate
CAS No.:	118-61-6
Molecular formula:	C₉H₁₀O₃
Molecular weight:	166.17 g/mol
SMILES:	CCOC(=O)C1=CC=CC=C1O
Structural class:
Other identifiers:	ethyl salicylate salicylic acid, ethyl ester

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1g	GC≥98%	400	2-8℃	in stock	-
Kehua Intelligence	100g	≥98%	40	2-8℃	in stock	-
Kehua Intelligence	500g	≥98%	120	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 22 22 0 0 0 0 0 0 0999 V2000 1.8861 0.3600 -0.1062 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3037 -2.1933 -0.3678 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2039 -1.7126 0.6270 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4046 -0.0250 0.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4831 -0.8557 -0.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6091 1.3417 0.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9428 -0.5637 0.2499 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2549 -0.0527 -0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7660 -0.3197 -0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8920 1.8775 0.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9704 1.0468 -0.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1413 1.0967 -0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2073 2.0136 0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4908 -0.3387 1.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4133 -0.9117 -0.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6154 -0.9548 -0.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0521 2.9410 0.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9692 1.4641 -0.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1970 0.8154 -0.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9028 1.4054 -1.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9786 1.9692 0.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1624 -2.6034 -0.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 5 1 0 0 0 0 2 22 1 0 0 0 0 3 7 2 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 9 2 0 0 0 0 6 10 1 0 0 0 0 6 13 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

ethyl 2-hydroxybenzoate

4.2 InChI

InChI=1S/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3

4.3 InChIKey

GYCKQBWUSACYIF-UHFFFAOYSA-N

4.4 Canonical SMILES

CCOC(=O)C1=CC=CC=C1O

4.5 Isomeric SMILES

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

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)