CAS No.: 106-22-9 — - (β-香茅醇)

1. Primary Information

English name:	-
CAS No.:	106-22-9
Molecular formula:	-
Molecular weight:	- g/mol
SMILES:	-
Structural class:
Other identifiers:	beta-citronellol citronellol citronellol, (+-)-isomer citronellol, (R)-isomer citronellol, (S)-isomer

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1ml	GC≥98%	80	2-8℃	in stock	-
Kehua Intelligence	25ml	95%	32	2-8℃	in stock	-
Kehua Intelligence	100ml	95%	64	2-8℃	in stock	-
Kehua Intelligence	500ml	95%	184	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 31 30 0 1 0 0 0 0 0999 V2000 -3.9704 1.6126 -0.3961 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1328 -0.7723 0.4007 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0420 -1.3910 -0.5045 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1028 0.1125 -0.4044 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8347 -0.3887 -1.2693 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8741 -1.9026 1.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1564 0.8095 0.4499 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5409 0.5779 -0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7914 0.5008 0.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4364 1.5084 1.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6751 -0.6672 -0.2179 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6479 -0.1547 1.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5172 -2.0559 -1.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6098 -2.0275 0.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6021 -0.4824 -1.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5510 0.8906 -0.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5456 -0.9396 -1.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2321 0.1817 -1.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4593 -2.5074 0.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1673 -2.5659 1.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5519 -1.5109 1.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6990 1.4505 1.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8149 0.0926 0.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9455 1.4432 -0.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3970 2.2827 -0.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7642 2.3466 1.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3422 1.9142 0.5802 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7055 1.0465 1.9974 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1602 -1.0521 0.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1489 -1.5151 -0.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4588 -0.3479 -0.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 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 7 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 8 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 6 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 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

3,7-dimethyloct-6-en-1-ol

4.2 InChI

InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3

4.3 InChIKey

QMVPMAAFGQKVCJ-UHFFFAOYSA-N

4.4 Canonical SMILES

CC(CCC=C(C)C)CCO

4.5 Isomeric SMILES

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

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5.2 ¹H nuclear magnetic resonance (¹H NMR)

Coming soon

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

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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)