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Dimethyl Phthalate
CAS: 131-11-3 | C10H10O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
131-11-3
Molecular Formula:
C10H10O4
Molecular Mass:
194.19 g/mol
Names and Synonyms:
Dimethyl Phthalate
1,2-Benzenedicarboxylic acid, 1,2-dimethyl ester
Phthalic acid, dimethyl ester
1,2-Benzenedicarboxylic acid, dimethyl ester
Dimethyl 1,2-benzenedicarboxylate
Dimethyl phthalate
DMP
Fermine
Avolin
Mipax
NTM
Palatinol M
Solvanom
Solvarone
Unimoll DM
DMF (insect repellent)
Repeftal
Dimethyl o-phthalate
NSC 15398
Metox 50
1,2-Dimethyl benzene-1,2-dicarboxylate
Identifiers:
SMILES:
COC(=O)c1ccccc1C(=O)OC
InChI:
InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3
Key Properties
Boiling Point
283.7 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
5.5 °C
CAS Common Chemistry
Density
1.19 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 194.19 g/mol | CAS Common Chemistry |
| 194.18599999999995 g/mol | RDKit | |
| 194.0579088 g/mol | RDKit | |
| Density | 1.19 g/cm³ | CAS Common Chemistry |
| 1.189 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dimethyl_phthalate | CAS Common Chemistry |
| Boiling Point | 283.7 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OC)C=1C=CC=CC1C(=O)OC | CAS Common Chemistry |
| InChI | InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NIQCNGHVCWTJSM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 5.5 °C | CAS Common Chemistry |
| Name | Dimethyl phthalate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 52.60000000000001 Ų | RDKit |
| LogP | 1.2597999999999998 | RDKit |
| Molar Refractivity | 49.12100000000002 | RDKit |
