CAS No.: 2306-33-4 — Monoethyl phthalate (邻苯二甲酸单乙酯)

1. Primary Information

English name:	Monoethyl phthalate
CAS No.:	2306-33-4
Molecular formula:	C₁₀H₁₀O₄
Molecular weight:	194.18 g/mol
SMILES:	CCOC(=O)C1=CC=CC=C1C(=O)O
Structural class:
Other identifiers:	14C-monoethyl phthalate monoethyl phthalate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	320	2-8℃	in stock	-
Kehua Intelligence	10mg	96%	400	2-8℃	in stock	-
Kehua Intelligence	25mg	96%	480	2-8℃	in stock	-
Kehua Intelligence	100mg	96%	1200	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 24 24 0 0 0 0 0 0 0999 V2000 1.8802 0.4626 0.4108 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4255 0.3446 -1.8427 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2383 -2.6913 0.7866 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2613 -2.2125 -0.8531 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3469 0.6210 -0.2718 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1499 -0.4842 0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8735 1.9090 -0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4795 -0.3012 0.3905 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0453 0.4628 -0.6719 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2029 2.0919 0.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0059 0.9868 0.4888 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2793 0.3146 0.1459 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6295 -1.8419 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0346 0.3379 1.4576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2578 2.7781 -0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1354 -1.1413 0.6038 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6131 3.0946 0.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0419 1.1295 0.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4532 -0.6382 -0.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6177 1.1379 -0.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1098 0.2266 1.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8540 1.2779 1.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6923 -0.4692 2.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 -3.6027 0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 9 2 0 0 0 0 3 13 1 0 0 0 0 3 24 1 0 0 0 0 4 13 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 9 1 0 0 0 0 6 8 2 0 0 0 0 6 13 1 0 0 0 0 7 10 1 0 0 0 0 7 15 1 0 0 0 0 8 11 1 0 0 0 0 8 16 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-ethoxycarbonylbenzoic acid

4.2 InChI

InChI=1S/C10H10O4/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12/h3-6H,2H2,1H3,(H,11,12)

4.3 InChIKey

YWWHKOHZGJFMIE-UHFFFAOYSA-N

4.4 Canonical SMILES

CCOC(=O)C1=CC=CC=C1C(=O)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)