CAS No.: 644-35-9 — 2-Propylphenol (2-丙基苯酚)

1. Primary Information

English name:	2-Propylphenol
CAS No.:	644-35-9
Molecular formula:	C₉H₁₂O
Molecular weight:	136.19 g/mol
SMILES:	CCCC1=CC=CC=C1O
Structural class:
Other identifiers:	2-propylphenol

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1g	>98%(GC)	760	RT	in stock	-
Kehua Intelligence	5ml	>98%(GC)	144	RT	in stock	-
Kehua Intelligence	25ml	>98%(GC)	480	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 22 22 0 0 0 0 0 0 0999 V2000 -0.0020 -2.1860 0.1351 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5120 0.1788 0.6621 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4024 0.2680 -0.5844 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0588 0.2031 0.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 -0.9811 0.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6049 1.4280 0.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8800 0.2768 -0.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9925 -0.9405 -0.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9625 1.4686 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6563 0.2844 -0.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7425 1.0136 1.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7560 -0.7253 1.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 -0.5789 -1.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1671 1.1783 -1.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0764 2.3587 0.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1244 1.1345 0.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1587 -0.6371 0.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4896 0.3400 -1.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5455 -1.8552 -0.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4793 2.4223 -0.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7132 0.3162 -0.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6407 -2.8911 -0.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 7 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 5 8 2 0 0 0 0 6 9 1 0 0 0 0 6 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 10 1 0 0 0 0 8 19 1 0 0 0 0 9 10 2 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-propylphenol

4.2 InChI

InChI=1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7,10H,2,5H2,1H3

4.3 InChIKey

LCHYEKKJCUJAKN-UHFFFAOYSA-N

4.4 Canonical SMILES

CCCC1=CC=CC=C1O

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)