CAS No.: 112-38-9 — Undecylenic Acid (十一烯酸)

1. Primary Information

English name:	Undecylenic Acid
CAS No.:	112-38-9
Molecular formula:	C₁₁H₂₀O₂
Molecular weight:	184.27 g/mol
SMILES:	C=CCCCCCCCCC(=O)O
Structural class:
Other identifiers:	10-undecenoic acid Mycodermine undecylenic acid

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	500mg	GC≥98%	144	2-8℃	in stock	-
Kehua Intelligence	250ml	CP，95%	96	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 33 32 0 0 0 0 0 0 0999 V2000 6.2965 -0.8123 -0.1023 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3360 1.2443 0.0132 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1663 0.4194 0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1682 -0.3272 0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -0.5103 0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3856 0.6022 0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7220 -0.1462 0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7197 0.2376 0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9003 0.8283 -0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9161 -0.7102 0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2776 0.2238 -0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2325 0.0251 -0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5968 -1.0746 -0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 1.0042 -0.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2236 1.1356 0.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 -1.0367 -0.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 -0.9197 1.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3396 -1.1088 0.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3325 -1.2140 -0.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3495 1.2828 0.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3229 1.2259 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7493 0.8726 -0.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7883 0.9116 0.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7391 -0.8516 -0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8062 -0.7323 0.9641 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7965 1.4081 -1.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8478 1.5466 0.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9006 -1.3378 0.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8666 -1.3550 -0.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0977 0.9382 -0.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6382 -1.3791 -0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8482 -1.8564 0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1465 -0.3232 -0.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 33 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 14 1 0 0 0 0 3 15 1 0 0 0 0 4 6 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 8 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 6 21 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 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 26 1 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 13 2 0 0 0 0 11 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

undec-10-enoic acid

4.2 InChI

InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)

4.3 InChIKey

FRPZMMHWLSIFAZ-UHFFFAOYSA-N

4.4 Canonical SMILES

C=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)