CAS No.: 84-66-2 — Diethyl Phthalate (邻苯二甲酸二乙酯)

1. Primary Information

English name:	Diethyl Phthalate
CAS No.:	84-66-2
Molecular formula:	C₁₂H₁₄O₄
Molecular weight:	222.24 g/mol
SMILES:	CCOC(=O)C1=CC=CC=C1C(=O)OCC
Structural class:
Other identifiers:	diethyl phthalate phthalic acid diethyl ester

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1ml	GC≥98%	144	2~8℃	in stock	-
Kehua Intelligence	2ml	1000μg/ml in n-hexane	80	2~8℃	in stock	-
Kehua Intelligence	500ml	CP，99.5%	48	2~8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 30 30 0 0 0 0 0 0 0999 V2000 -2.0629 -0.8513 -0.4923 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3748 -0.6827 -0.1692 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0404 -0.3295 1.7496 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 -1.2814 1.3250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7835 0.9749 0.1993 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5996 0.7967 0.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3368 2.2091 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4291 1.8527 -0.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6764 -0.1087 0.5886 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2078 -0.4802 0.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 3.2650 -0.5194 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8759 3.0869 -0.5555 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9459 -1.9491 -0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0686 -1.9081 0.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2582 -2.6445 -1.5456 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3261 -1.9498 -0.7525 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4130 2.3604 -0.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5111 1.7524 -0.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9377 4.2261 -0.7843 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5217 3.9103 -0.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4628 -2.6516 0.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8708 -1.5746 0.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3306 -1.9604 1.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 -2.7536 -0.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3393 -3.0072 -2.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9321 -3.4910 -1.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7243 -1.9480 -2.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8824 -2.8752 -0.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0795 -1.8791 -1.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9741 -1.0984 -0.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 10 1 0 0 0 0 2 14 1 0 0 0 0 3 9 2 0 0 0 0 4 10 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 10 1 0 0 0 0 7 11 1 0 0 0 0 7 17 1 0 0 0 0 8 12 1 0 0 0 0 8 18 1 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

diethyl benzene-1,2-dicarboxylate

4.2 InChI

InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3

4.3 InChIKey

FLKPEMZONWLCSK-UHFFFAOYSA-N

4.4 Canonical SMILES

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

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)