CAS No.: 118-60-5 — 2-Ethylhexyl salicylate (水杨酸异辛酯)

1. Primary Information

English name:	2-Ethylhexyl salicylate
CAS No.:	118-60-5
Molecular formula:	C₁₅H₂₂O₃
Molecular weight:	250.33 g/mol
SMILES:	CCCCC(CC)COC(=O)C1=CC=CC=C1O
Structural class:
Other identifiers:	2-ethylhexyl salicylate ethyl hexyl salicylate octisalate octylsalicylate salicylic acid 2-ethylhexyl ester

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	250mg	HPLC≥99%	320	RT	in stock	-
Kehua Intelligence	25ml	98%	56	RT	in stock	-
Kehua Intelligence	100ml	98%	128	RT	in stock	-
Kehua Intelligence	500ml	98%	336	RT	in stock	-
Kehua Intelligence	100mg	99%(HPLC)	80	RT	in stock	-
Kehua Intelligence	1g	99%(HPLC)	320	RT	in stock	-
Kehua Intelligence	5g	99%(HPLC)	800	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 40 40 0 1 0 0 0 0 0999 V2000 0.2475 -0.1361 0.0345 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3686 -1.8608 1.0679 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7984 -2.1560 -0.1115 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1573 0.1377 -0.1613 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4872 -0.6267 0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1593 1.5548 0.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6891 0.0854 -0.6199 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0012 -0.7280 0.3659 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0056 -0.6728 -0.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3837 1.6060 1.9596 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2070 0.0415 -1.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3573 -0.8091 0.4473 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5911 -0.0895 0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7471 -0.7982 -0.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5361 1.2867 -0.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8954 -0.1033 -0.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6846 1.9816 -0.4427 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8643 1.2867 -0.7091 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9883 0.2778 -1.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3926 -1.6157 -0.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6828 -0.8083 1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9154 2.1751 -0.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1996 2.0398 0.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5047 0.2322 -1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8092 1.0795 -0.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0471 -1.7186 -0.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0747 -0.8640 1.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9206 -1.6669 -0.8847 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1854 -0.8269 0.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5977 1.0765 2.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3736 2.6470 2.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3514 1.1791 2.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1175 -0.5435 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3465 1.0247 -0.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0787 0.1818 -2.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6365 1.8553 0.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8216 -0.6315 -0.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6616 3.0642 -0.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7586 1.8280 -1.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6957 -2.4584 -0.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 12 2 0 0 0 0 3 14 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 19 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 10 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 16 2 0 0 0 0 15 17 1 0 0 0 0 15 36 1 0 0 0 0 16 18 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-ethylhexyl 2-hydroxybenzoate

4.2 InChI

InChI=1S/C15H22O3/c1-3-5-8-12(4-2)11-18-15(17)13-9-6-7-10-14(13)16/h6-7,9-10,12,16H,3-5,8,11H2,1-2H3

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)