CAS No.: 141-27-5 — Citral (柠檬醛)

1. Primary Information

English name:	Citral
CAS No.:	141-27-5
Molecular formula:	C₁₀H₁₆O
Molecular weight:	152.23 g/mol
SMILES:	CC(=CCCC(=CC=O)C)C
Structural class:
Other identifiers:	(E)-citral (Z)-citral alpha citral citral citral A

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Purchase	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	90%	5600	Buy now	-20℃，氮气保存	in stock	-
Kehua Intelligence	250mg	90%	10240	Buy now	-20℃，氮气保存	in stock	-
Kehua Intelligence	500mg	90%	16800	Buy now	-20℃，氮气保存	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 27 26 0 0 0 0 0 0 0999 V2000 -3.9102 -1.3533 0.2222 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2255 1.8055 0.7006 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2716 1.6169 0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1145 0.8320 -0.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7628 0.2455 0.7937 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4207 -0.6400 0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0442 0.9377 -1.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9511 -0.0609 0.5124 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8424 -1.9720 0.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7849 -0.4332 -1.4212 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8368 -0.9782 -0.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5156 2.8297 0.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4034 1.7117 1.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4821 1.8708 -0.6208 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8269 2.3458 1.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5675 -0.0304 1.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9846 0.6847 -2.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2507 0.2947 -1.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8236 1.9688 -1.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9302 -2.0815 0.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3782 -2.7858 0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5555 -2.0935 1.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8691 -0.5197 -1.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4905 0.5393 -1.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3045 -1.1975 -2.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0507 -0.0994 1.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4954 -1.2870 -1.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 2 13 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 7 1 0 0 0 0 4 8 2 0 0 0 0 5 6 2 0 0 0 0 5 16 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 11 1 0 0 0 0 8 26 1 0 0 0 0 9 20 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 11 27 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2E)-3,7-dimethylocta-2,6-dienal

4.2 InChI

InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+

4.3 InChIKey

WTEVQBCEXWBHNA-JXMROGBWSA-N

4.4 Canonical SMILES

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

4.5 Isomeric SMILES

CC(=CCC/C(=C/C=O)/C)C

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)