CAS No.: 112-07-2 — 2-Butoxyethyl acetate (乙二醇丁醚醋酸酯)

1. Primary Information

English name:	2-Butoxyethyl acetate
CAS No.:	112-07-2
Molecular formula:	C₈H₁₆O₃
Molecular weight:	160.21 g/mol
SMILES:	CCCCOCCOC(=O)C
Structural class:
Other identifiers:	butylglycol acetate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1g	GC≥98%	504	2-8℃	in stock	-
Kehua Intelligence	25ml	98%	24	2-8℃	in stock	-
Kehua Intelligence	100ml	98%	78	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 27 26 0 0 0 0 0 0 0999 V2000 0.9520 -0.2161 0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6085 0.5073 0.0053 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9387 -1.3814 -0.0092 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3426 -0.3525 -0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6520 0.4312 -0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1339 0.5725 -0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2161 0.5935 -0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8561 -0.4955 0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4394 -0.3029 -0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7984 -0.1660 0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9357 0.8100 0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2967 -1.0198 -0.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2929 -1.0050 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6842 1.1069 0.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7121 1.0524 -0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1531 1.2235 0.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1448 1.1970 -0.9192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2306 1.2416 0.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2259 1.2400 -0.8915 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8432 -1.1064 0.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8719 -1.1659 -0.8281 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7830 0.0867 0.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4244 -0.9573 0.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4325 -0.9386 -0.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8956 1.4410 -0.8707 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8875 1.4192 0.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8830 0.2632 0.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 10 2 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 8 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 9 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 8 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 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-butoxyethyl acetate

4.2 InChI

InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3

4.3 InChIKey

NQBXSWAWVZHKBZ-UHFFFAOYSA-N

4.4 Canonical SMILES

CCCCOCCOC(=O)C

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)