CAS No.: 25322-69-4 — 2-(2-Hydroxypropoxy)propan-1-ol (-)

1. Primary Information

English name:	2-(2-Hydroxypropoxy)propan-1-ol
CAS No.:	25322-69-4
Molecular formula:	C₆H₁₄O₃
Molecular weight:	134.17 g/mol
SMILES:	CC(CO)OCC(C)O
Structural class:
Other identifiers:	2-(2-hydroxypropoxy)-1-propanol

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	500g	分子量2000	80	RT	in stock	-
Kehua Intelligence	500g	分子量400	60	RT	in stock	-
Kehua Intelligence	500g	分子量1000	60	RT	in stock	-
Kehua Intelligence	500g	分子量1500	60	RT	in stock	-
Kehua Intelligence	500g	分子量4000	48	RT	in stock	-
Kehua Intelligence	500g	分子量600	60	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 23 22 0 1 0 0 0 0 0999 V2000 -0.2792 -0.0760 0.2353 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2720 0.5905 -0.1307 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5379 -1.6403 -0.1471 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4651 0.4993 -0.3111 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8830 0.5778 -0.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1136 -0.0910 0.3484 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6632 -0.2724 0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5260 1.9673 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2028 -1.5553 -0.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4379 0.3915 -1.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9191 1.6296 0.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9191 0.5389 -1.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0896 -0.0141 1.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7081 -0.2318 1.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6032 0.1116 -0.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 2.5814 -0.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5313 2.3709 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2633 2.1149 1.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1177 -2.0059 0.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3488 -2.1316 0.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2544 -1.6603 -1.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0486 0.1672 0.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6930 -1.9637 0.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 22 1 0 0 0 0 3 7 1 0 0 0 0 3 23 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-(2-hydroxypropoxy)propan-1-ol

4.2 InChI

InChI=1S/C6H14O3/c1-5(8)4-9-6(2)3-7/h5-8H,3-4H2,1-2H3

4.3 InChIKey

DUFKCOQISQKSAV-UHFFFAOYSA-N

4.4 Canonical SMILES

CC(CO)OCC(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)