CAS No.: 106-25-2 — Nerol (橙花醇)

1. Primary Information

English name:	Nerol
CAS No.:	106-25-2
Molecular formula:	C₁₀H₁₈O
Molecular weight:	154.25 g/mol
SMILES:	CC(=CCCC(=CCO)C)C
Structural class:
Other identifiers:	geraniol geraniol, (E)-isomer geraniol, (Z)-isomer geraniol, 1-(14)C-labeled, (E)-isomer geraniol, 2-(14)C-labeled, (E)-isomer

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Purchase	Storage conditions	Lead time	Notes
Kehua Intelligence	0.1ml	HPLC≥98%	144	Buy now	2-8℃	in stock	-
Kehua Intelligence	25ml	≥95%(HPLC)	32	Buy now	2-8℃	in stock	-
Kehua Intelligence	100ml	≥95%(HPLC)	96	Buy now	2-8℃	in stock	-
Kehua Intelligence	500ml	≥95%(HPLC)	384	Buy now	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 29 28 0 0 0 0 0 0 0999 V2000 2.2829 2.2939 0.1611 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 -1.2854 -1.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7822 -1.1707 -1.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -1.0169 0.2686 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2911 0.1931 -0.8715 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2352 0.5065 0.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7839 -1.9745 1.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1243 -0.0300 0.5926 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6184 1.9439 0.2687 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9751 -0.4780 0.8961 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 1.0181 -0.3043 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0407 -2.3019 -1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 -0.6309 -1.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2562 -1.9717 -0.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 -1.3522 -2.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 1.0083 -1.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9671 -3.0084 1.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2865 -1.8492 1.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2987 -1.8271 2.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4412 0.0501 1.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4319 2.2213 1.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0522 2.6354 -0.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6818 2.0923 0.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0547 -0.3642 0.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7336 -1.5209 0.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7507 -0.2950 1.9522 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4198 0.9296 -1.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7945 0.9811 -0.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3165 2.3410 0.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 29 1 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 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2Z)-3,7-dimethylocta-2,6-dien-1-ol

4.2 InChI

InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-

4.3 InChIKey

GLZPCOQZEFWAFX-YFHOEESVSA-N

4.4 Canonical SMILES

CC(=CCCC(=CCO)C)C

4.5 Isomeric SMILES

CC(=CCC/C(=C\CO)/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)