CAS No.: 488-10-8 — Jasmone (顺-茉莉酮)

1. Primary Information

English name:	Jasmone
CAS No.:	488-10-8
Molecular formula:	C₁₁H₁₆O
Molecular weight:	164.24 g/mol
SMILES:	CCC=CCC1=C(CCC1=O)C
Structural class:
Other identifiers:	(Z)-3-methyl-2-(2-pentenyl)-2-cyclopenten-1-one (Z)-jasmone cis-jasmone jasmone

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1ml	GC≥99%	120	2-8℃	in stock	-
Kehua Intelligence	5ml	98%	36	2-8℃	in stock	-
Kehua Intelligence	25ml	98%	152	2-8℃	in stock	-
Kehua Intelligence	100ml	98%	480	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 28 28 0 0 0 0 0 0 0999 V2000 -0.2818 -2.1456 0.1405 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1098 -0.0269 -0.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9292 0.8431 0.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7761 0.1805 0.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5576 -1.4443 -0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1041 -1.2437 0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5973 0.6351 0.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1473 2.3153 0.2251 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3699 1.0288 -0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5400 0.4784 -0.9873 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2268 -0.6019 -0.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1718 -0.0189 0.8339 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8889 0.0680 0.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5454 0.2436 -1.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6740 -1.8972 -1.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0202 -2.0746 0.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0977 -0.1112 1.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5396 1.5234 1.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5493 2.7072 -0.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 2.8585 0.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8605 2.5358 1.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9612 1.8235 -1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0395 0.8438 -1.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5228 -1.2973 0.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8061 -1.2112 -0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6299 0.5691 1.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9223 0.6294 0.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6997 -0.8233 1.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 4 2 0 0 0 0 3 8 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 10 2 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

3-methyl-2-[(Z)-pent-2-enyl]cyclopent-2-en-1-one

4.2 InChI

InChI=1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3/b5-4-

4.3 InChIKey

XMLSXPIVAXONDL-PLNGDYQASA-N

4.4 Canonical SMILES

CCC=CCC1=C(CCC1=O)C

4.5 Isomeric SMILES

CC/C=C\CC1=C(CCC1=O)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)