CAS No.: 14113-05-4 — 10-Hydroxy-2-decenoic acid (王浆酸)

1. Primary Information

English name:	10-Hydroxy-2-decenoic acid
CAS No.:	14113-05-4
Molecular formula:	C₁₀H₁₈O₃
Molecular weight:	186.25 g/mol
SMILES:	C(CCCC=CC(=O)O)CCCO
Structural class:
Other identifiers:	10-HDEC 10-hydroxy-2-decenoic acid 10-hydroxy-2-decenoic acid, (E)-isomer 10-hydroxy-2-decenoic acid, monopotassium salt 10-hydroxy-2-decenoic acid, monosodium salt

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Purchase	Storage conditions	Lead time	Notes
Kehua Intelligence	20mg	GC≥98%	240	Buy now	2-8℃	in stock	-
Kehua Intelligence	1g	≥97%	19	Buy now	2-8℃	in stock	-
Kehua Intelligence	5g	≥97%	67	Buy now	2-8℃	in stock	-
Kehua Intelligence	25g	≥97%	268	Buy now	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 31 30 0 0 0 0 0 0 0999 V2000 -6.3077 -1.1862 0.2416 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4607 -1.9141 -0.9124 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 -1.5133 1.2690 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8788 1.1022 0.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 1.0365 -0.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7414 -0.0680 -0.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 2.1643 0.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1815 -0.0870 0.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9270 2.0950 -0.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9897 -1.2835 -0.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6146 0.8578 0.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2573 -0.0031 -0.4825 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8984 -1.2007 0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8795 1.1109 1.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3342 2.0456 -0.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4259 1.0723 -1.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0117 0.0666 -0.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7589 -0.0602 -1.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2550 -1.0068 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3806 2.1705 1.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0439 3.1256 -0.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6877 0.8389 -0.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1805 -0.0752 1.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0061 2.1706 -1.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 2.9674 0.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5496 -2.2214 0.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0481 -1.3143 -1.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5775 0.6884 1.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7017 -0.3672 -0.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 0.1521 -1.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9020 -2.7261 -0.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 29 1 0 0 0 0 2 13 1 0 0 0 0 2 31 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 8 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 9 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 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(E)-10-hydroxydec-2-enoic acid

4.2 InChI

InChI=1S/C10H18O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h6,8,11H,1-5,7,9H2,(H,12,13)/b8-6+

4.3 InChIKey

QHBZHVUGQROELI-SOFGYWHQSA-N

4.4 Canonical SMILES

C(CCCC=CC(=O)O)CCCO

4.5 Isomeric SMILES

C(CCC/C=C/C(=O)O)CCCO

4.6 SDF file

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 13 12 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -1.73205 3 0 0
M  V30 2 C -2.59808 3.5 0 0
M  V30 3 C -3.4641 3 0 0
M  V30 4 C -3.4641 2 0 0
M  V30 5 C -4.33013 1.5 0 0
M  V30 6 C -4.33013 0.5 0 0
M  V30 7 C -5.19615 8.88178e-16 0 0
M  V30 8 O -6.06218 0.5 0 0
M  V30 9 O -5.19615 -1 0 0
M  V30 10 C -1.73205 2 0 0
M  V30 11 C -0.866025 1.5 0 0
M  V30 12 C -0.866025 0.5 0 0
M  V30 13 O 0 -0 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 10
M  V30 3 1 2 3
M  V30 4 1 3 4
M  V30 5 1 4 5
M  V30 6 2 5 6
M  V30 7 1 6 7
M  V30 8 2 7 8
M  V30 9 1 7 9
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 END BOND
M  V30 END CTAB
M  END

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)