CAS No.: 584-79-2 — Allethrin (右旋烯丙菊酯)

1. Primary Information

English name:	Allethrin
CAS No.:	584-79-2
Molecular formula:	C₁₉H₂₆O₃
Molecular weight:	302.4 g/mol
SMILES:	CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C
Structural class:
Other identifiers:	Allethrin Allethrins Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in acetone	152	-20℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in acetone	464	-20℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol(anhydrous)	464	-20℃	in stock	-
Kehua Intelligence	1ml	100μg/ml in methanol	152	-20℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in n-hexane	152	-20℃	in stock	-
Kehua Intelligence	10mg	99%	480	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 48 49 0 1 0 0 0 0 0999 V2000 0.3574 0.2608 -0.0792 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7812 -1.0632 -1.5917 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8904 -2.3033 0.3890 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7396 1.1291 0.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2863 -0.2115 -0.3186 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9326 -0.1027 0.2921 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3787 2.0712 -1.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2616 1.8108 1.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3401 -0.8370 0.4663 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7456 -0.3732 -0.5819 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6702 -0.6622 0.3473 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5604 0.0870 -0.8148 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6336 -1.3893 1.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3061 0.2499 -0.6631 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9992 -1.3721 -0.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6710 0.8420 -0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6409 0.0658 0.3672 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2506 -1.3208 0.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5938 2.3324 -0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8816 0.3795 1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 0.5800 0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1678 -0.1733 0.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3427 -0.4410 -1.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8007 -0.4461 1.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1044 1.5607 -1.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2243 2.7277 -1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5336 2.7022 -0.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5586 2.5820 1.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2186 2.3002 1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4126 1.1315 2.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0003 -1.5368 1.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4231 0.4430 -1.8434 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2358 -0.6733 1.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3068 -2.0147 0.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1246 -2.0398 1.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9714 -0.3199 -1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8963 1.0205 -0.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5748 0.7599 -1.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2613 -1.7288 -1.7844 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2862 -2.0499 -0.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5199 2.7438 -1.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4743 2.7767 0.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7134 2.6494 0.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7437 1.2962 1.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0826 -0.4066 1.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0142 1.4020 -0.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9886 0.0307 -0.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2726 -1.0010 0.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 2 10 2 0 0 0 0 3 18 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 23 1 0 0 0 0 6 10 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 2 0 0 0 0 9 31 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 18 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

4.2 InChI

InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3

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)

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)