CAS No.: 112-27-6 — Triethylene Glycol (三乙二醇)

1. Primary Information

English name:	Triethylene Glycol
CAS No.:	112-27-6
Molecular formula:	C₆H₁₄O₄
Molecular weight:	150.17 g/mol
SMILES:	C(COCCOCCO)O
Structural class:
Other identifiers:	1,2-bis(2-hydroxyethoxy)ethane 2,2'-(1,2-ethanediylbis(oxy))bisethanol 2,2'-(ethylenedioxy)diethanol 2,2'-ethylenedioxybis(ethanol) 3,6-dioxaoctane-1,8-diol

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	500mg	GC≥99%	120	2-8℃	in stock	-
Kehua Intelligence	500ml	CP	36	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 24 23 0 0 0 0 0 0 0999 V2000 1.7763 0.3768 -0.0187 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7775 -0.3763 -0.0187 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3545 -0.2577 0.0332 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3543 0.2569 0.0333 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6155 -0.4423 -0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6153 0.4437 -0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9653 -0.4039 0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9649 0.4034 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1658 0.5225 -0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1656 -0.5232 -0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6061 -1.0948 -0.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6114 -1.0845 0.8807 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6065 1.0960 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6118 1.0856 0.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9854 -1.0322 0.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9977 -1.0689 -0.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9886 1.0320 0.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9980 1.0683 -0.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1520 1.2065 0.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1770 1.1342 -0.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1454 -1.1953 0.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1707 -1.1394 -0.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3423 -0.7655 0.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1024 -0.3642 0.0246 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 6 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 3 23 1 0 0 0 0 4 10 1 0 0 0 0 4 24 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 13 1 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 10 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 10 21 1 0 0 0 0 10 22 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-[2-(2-hydroxyethoxy)ethoxy]ethanol

4.2 InChI

InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2

4.3 InChIKey

ZIBGPFATKBEMQZ-UHFFFAOYSA-N

4.4 Canonical SMILES

C(COCCOCCO)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)