CAS No.: 131-11-3 — Dimethyl Phthalate (-)

1. Primary Information

English name:	Dimethyl Phthalate
CAS No.:	131-11-3
Molecular formula:	C₁₀H₁₀O₄
Molecular weight:	194.18 g/mol
SMILES:	COC(=O)C1=CC=CC=C1C(=O)OC
Structural class:
Other identifiers:	dimethyl phthalate dimethyl phthalate, conjugate diacid dimethylphthalate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1ml	HPLC≥99.5%	160	2-8℃	in stock	-
Kehua Intelligence	2ml	1000μg/ml in n-hexane	80	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	44	2-8℃；避光	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	64	2-8℃；避光	in stock	-
Kehua Intelligence	500ml	CP，99%	32	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 2.1516 -0.6114 0.9395 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2187 -1.4775 0.4119 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1521 -0.4593 -1.3481 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3606 -1.8922 -0.8655 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5529 0.7763 -0.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7628 0.3133 -0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8135 2.1405 0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8181 1.2146 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2418 3.0418 0.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5576 2.5787 0.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6766 -0.1400 -0.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0672 -1.1055 -0.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2576 -1.5185 0.8697 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5777 -2.8608 0.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8345 2.5135 0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8542 0.8861 0.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0392 4.1041 0.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3792 3.2812 0.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1186 -1.0296 0.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9742 -2.4169 0.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5256 -1.8066 1.8897 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7966 -3.4838 0.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7472 -3.1396 -0.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5061 -3.0079 0.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 3 11 2 0 0 0 0 4 12 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 11 1 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 9 10 2 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

dimethyl benzene-1,2-dicarboxylate

4.2 InChI

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

4.3 InChIKey

NIQCNGHVCWTJSM-UHFFFAOYSA-N

4.4 Canonical SMILES

COC(=O)C1=CC=CC=C1C(=O)OC

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)