CAS No.: 112-34-5 — 2-(2-Butoxyethoxy)ethanol (二乙二醇丁醚)

1. Primary Information

English name:	2-(2-Butoxyethoxy)ethanol
CAS No.:	112-34-5
Molecular formula:	C₈H₁₈O₃
Molecular weight:	162.23 g/mol
SMILES:	CCCCOCCOCCO
Structural class:
Other identifiers:	2-(2-butoxyethoxy)ethanol butyl carbitol diethylene glycol mono-n-butyl ether diethylene glycol monobutyl ether

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	250mg	GC≥99%	240	2-8℃	in stock	-
Kehua Intelligence	100ml	98%	24	2-8℃	in stock	-
Kehua Intelligence	500ml	98%	56	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 -1.0854 0.3538 0.0958 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5174 0.0043 -0.2175 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9932 -1.1028 0.4701 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4780 0.2760 0.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2033 -0.4525 -0.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7227 -0.5433 -0.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -0.2746 -0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2901 0.6418 0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9912 0.1688 0.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6326 0.8297 0.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9072 0.0987 -0.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5177 1.2482 -0.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4436 0.4994 1.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1378 -1.4129 0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2020 -0.6390 -1.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6690 -1.5191 0.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7707 -0.7307 -1.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 -1.2306 0.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1643 -0.4851 -1.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2597 0.8641 1.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1976 1.5922 -0.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9891 0.3399 1.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0921 1.1368 -0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8702 -0.4348 0.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5658 1.7703 -0.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6313 1.0433 1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7880 0.7093 -0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9118 -0.1720 -1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1974 -1.6272 0.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 3 11 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 9 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 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

2-(2-butoxyethoxy)ethanol

4.2 InChI

InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3

4.3 InChIKey

OAYXUHPQHDHDDZ-UHFFFAOYSA-N

4.4 Canonical SMILES

CCCCOCCOCCO

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)