CAS No.: 18829-56-6 — 2-Nonenal (反-2-壬烯醛)

1. Primary Information

English name:	2-Nonenal
CAS No.:	18829-56-6
Molecular formula:	C₉H₁₆O
Molecular weight:	140.22 g/mol
SMILES:	CCCCCCC=CC=O
Structural class:
Other identifiers:	2(E)-nonenal 2-nonenal 2-nonenal, (cis)-isomer 2-nonenal, (trans)-isomer cis-2-nonenal

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5g	>85%(GC)	80	-20℃，氮气保存	in stock	-
Kehua Intelligence	25g	>85%(GC)	240	-20℃，氮气保存	in stock	-
Kehua Intelligence	100g	>85%(GC)	800	-20℃，氮气保存	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 26 25 0 0 0 0 0 0 0999 V2000 -5.2467 -0.6705 0.3889 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8283 0.5784 0.1794 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9898 -0.3588 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 0.0113 -0.3179 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3438 0.1466 0.3436 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6702 0.9318 0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5104 -0.7456 -0.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9730 0.3918 -0.4677 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0196 0.1191 0.3208 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2588 -0.4041 -0.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0048 1.5611 -0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7837 0.7256 1.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7971 -1.3491 0.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0381 -0.4917 -1.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3331 -0.9817 0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5401 -0.1216 -1.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5238 1.1540 -0.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3157 0.2335 1.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7069 1.0669 1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5094 1.9234 -0.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3842 -1.7544 0.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4495 -0.3374 0.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5932 -0.8208 -1.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0433 0.2391 -1.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9957 0.2639 1.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2481 -0.5425 -1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 2 12 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 21 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 9 2 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(E)-non-2-enal

4.2 InChI

InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3/b8-7+

4.3 InChIKey

BSAIUMLZVGUGKX-BQYQJAHWSA-N

4.4 Canonical SMILES

CCCCCCC=CC=O

4.5 Isomeric SMILES

CCCCCC/C=C/C=O

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)