CAS No.: 334-48-5 — Capric Acid (正癸酸)

1. Primary Information

English name:	Capric Acid
CAS No.:	334-48-5
Molecular formula:	C₁₀H₂₀O₂
Molecular weight:	172.26 g/mol
SMILES:	CCCCCCCCCC(=O)O
Structural class:
Other identifiers:	capric acid decanoic acid decanoic acid, sodium salt sodium caprate sodium decanoate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5ml	GC≥98%	288	RT	in stock	-
Kehua Intelligence	500ml	98%	96	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 32 31 0 0 0 0 0 0 0999 V2000 -5.7761 0.7175 -0.0524 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8040 -1.3327 0.0216 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7308 0.4378 0.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3942 -0.3082 0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9856 -0.4366 -0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8611 0.5697 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2882 0.3656 0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1646 -0.2360 0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5066 -0.5555 -0.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4030 0.6600 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8053 0.2331 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7022 -0.1148 -0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7623 1.0179 1.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7602 1.1675 -0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3497 -1.0120 0.8443 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3775 -0.9170 -0.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9450 -1.0335 -0.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9783 -1.1451 0.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8306 1.2165 0.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8484 1.2301 -0.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3026 1.0670 -0.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3329 0.9628 0.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2031 -0.8567 0.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1743 -0.9264 -0.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4864 -1.2693 0.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4762 -1.1378 -0.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4107 1.3305 0.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3732 1.2642 -0.9347 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8721 0.9362 -0.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6629 -0.4445 -0.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8816 0.8005 0.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6227 0.2221 -0.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 32 1 0 0 0 0 2 12 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 6 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 8 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

decanoic acid

4.2 InChI

InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)

4.3 InChIKey

GHVNFZFCNZKVNT-UHFFFAOYSA-N

4.4 Canonical SMILES

CCCCCCCCCC(=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)