CAS No.: 5393-81-7 — 2-Hydroxydecanoic acid (羟基癸酸)

1. Primary Information

English name:	2-Hydroxydecanoic acid
CAS No.:	5393-81-7
Molecular formula:	C₁₀H₂₀O₃
Molecular weight:	188.26 g/mol
SMILES:	CCCCCCCCC(C(=O)O)O
Structural class:
Other identifiers:	2-hydroxydecanoate 2-hydroxydecanoic acid 2-hydroxydecanoic acid, monopotassium salt 2-hydroxydecanoic acid, sodium salt

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	50mg	≥98%	1344	2-8°C	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 33 32 0 1 0 0 0 0 0999 V2000 -3.1473 1.7132 0.0193 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5606 -1.5590 -0.3969 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2431 0.2468 0.7965 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6473 -0.3219 0.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9743 0.2557 -0.3256 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 0.3335 -0.3828 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2028 -0.4003 0.3082 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4977 0.2089 -0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9125 -0.3461 0.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7257 -0.4188 0.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1567 0.3707 -0.4461 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0134 0.2072 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4210 -0.2899 0.0653 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6236 -1.3928 -0.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6222 -0.2499 1.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0216 0.1424 -1.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9926 1.3329 -0.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6207 1.3891 -0.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5799 0.3126 -1.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1622 -0.2742 1.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1891 -1.4780 0.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4977 1.2907 -0.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5470 0.0638 -1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9122 -1.3943 -0.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9311 -0.3485 1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6725 -0.2900 1.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7445 -1.4967 0.2261 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1766 0.3867 -1.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8788 -0.2573 0.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0403 1.2804 0.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1136 0.0698 -1.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8884 2.1761 -0.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3844 -1.9790 -0.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 32 1 0 0 0 0 2 13 1 0 0 0 0 2 33 1 0 0 0 0 3 13 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 9 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-hydroxydecanoic acid

4.2 InChI

InChI=1S/C10H20O3/c1-2-3-4-5-6-7-8-9(11)10(12)13/h9,11H,2-8H2,1H3,(H,12,13)

4.3 InChIKey

GHPVDCPCKSNJDR-UHFFFAOYSA-N

4.4 Canonical SMILES

CCCCCCCCC(C(=O)O)O

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)