CAS No.: 14292-27-4 — 3-Hydroxyoctanoic acid (3-羟基辛酸)

1. Primary Information

English name:	3-Hydroxyoctanoic acid
CAS No.:	14292-27-4
Molecular formula:	C₈H₁₆O₃
Molecular weight:	160.21 g/mol
SMILES:	CCCCCC(CC(=O)O)O
Structural class:
Other identifiers:	3-hydroxyoctanoate 3-hydroxyoctanoic acid 3-hydroxyoctanoic acid, (S)- 3-hydroxyoctanoic acid, (S)-isomer

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5mg	98%	864	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 27 26 0 1 0 0 0 0 0999 V2000 0.9992 -1.7356 0.7452 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6779 1.4318 -0.4636 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5753 0.6053 1.3458 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1629 -0.0014 -0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5385 -0.6060 -0.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9637 -1.0401 -0.5016 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6227 0.4735 -0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0034 -0.1321 0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3555 -0.4858 -0.8239 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0881 0.9332 0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8440 0.5572 0.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0529 0.7251 0.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1936 0.5528 -1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5278 -1.1341 0.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 -1.3460 -0.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7065 -1.7807 -1.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3934 1.2053 0.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6281 1.0138 -1.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2301 -0.8764 -0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0119 -0.6526 1.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0961 -1.2936 -0.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3289 -0.0414 -1.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0667 0.4784 0.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1281 1.4494 -0.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9086 1.6783 0.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6808 -2.4258 0.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0242 2.1080 0.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 26 1 0 0 0 0 2 11 1 0 0 0 0 2 27 1 0 0 0 0 3 11 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 9 1 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 10 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 11 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

3-hydroxyoctanoic acid

4.2 InChI

InChI=1S/C8H16O3/c1-2-3-4-5-7(9)6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)

4.3 InChIKey

NDPLAKGOSZHTPH-UHFFFAOYSA-N

4.4 Canonical SMILES

CCCCCC(CC(=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)