CAS No.: 3391-86-4 — 1-Octen-3-OL (1-辛烯-3-醇)

1. Primary Information

English name:	1-Octen-3-OL
CAS No.:	3391-86-4
Molecular formula:	C₈H₁₆O
Molecular weight:	128.21 g/mol
SMILES:	CCCCCC(C=C)O
Structural class:
Other identifiers:	1-octen-3-ol 1-octen-3-ol, (+-)-isomer 1-octen-3-ol, (R)-isomer octenol

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	GC≥98%	208	2-8℃	in stock	-
Kehua Intelligence	10ml	98%	32	2-8℃	in stock	-
Kehua Intelligence	20ml	98%	56	2-8℃	in stock	-
Kehua Intelligence	50ml	98%	128	2-8℃	in stock	-
Kehua Intelligence	250ml	98%	520	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 25 24 0 1 0 0 0 0 0999 V2000 1.7646 -1.6777 0.1495 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8213 -0.3232 -0.2606 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0869 0.3754 0.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4366 0.3119 0.3377 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3426 -0.2299 -0.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7469 -0.2909 -0.1903 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6042 0.4390 0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9731 0.4019 0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9339 0.9935 -0.3749 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8631 -1.3877 -0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 -0.2572 -1.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0386 1.4448 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1424 0.2906 1.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3961 0.1916 1.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4287 1.3902 0.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3025 -0.1233 -1.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3886 -1.3029 -0.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.2326 -1.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6910 0.3205 1.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6047 1.5091 -0.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4896 -0.0085 -0.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0841 0.4058 1.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5924 -2.0549 -0.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7814 1.4604 0.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8890 1.0207 -1.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 9 2 0 0 0 0 8 22 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

oct-1-en-3-ol

4.2 InChI

InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3

4.3 InChIKey

VSMOENVRRABVKN-UHFFFAOYSA-N

4.4 Canonical SMILES

CCCCCC(C=C)O

4.5 Isomeric SMILES

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)