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Molecule
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
Identifiers
CAS Registry Number
131-11-3
SMILES
COC(=O)c1ccccc1C(=O)OC
InChI Key
NIQCNGHVCWTJSM-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3
Names and Synonyms
- Dimethyl Phthalate Common Name
- 1,2-Benzenedicarboxylic acid, 1,2-dimethyl ester Synonym
- Phthalic acid, dimethyl ester Synonym
- 1,2-Benzenedicarboxylic acid, dimethyl ester Synonym
- Dimethyl 1,2-benzenedicarboxylate Synonym
- Dimethyl phthalate Synonym
- DMP Synonym
- Fermine Synonym
- Avolin Synonym
- Mipax Synonym
- NTM Synonym
- Palatinol M Synonym
- Solvanom Synonym
- Solvarone Synonym
- Unimoll DM Synonym
- DMF (insect repellent) Synonym
- Repeftal Synonym
- Dimethyl o-phthalate Synonym
- NSC 15398 Synonym
- Metox 50 Synonym
- 1,2-Dimethyl benzene-1,2-dicarboxylate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 194.19 g/mol | CAS Common Chemistry |
| 194.18599999999995 g/mol | RDKit | |
| 194.186 g/mol | RDKit | |
| Density | 1.19 g/cm³ | CAS Common Chemistry |
| 1.189 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dimethyl_phthalate | 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 |
| 52.6 Ų | RDKit | |
| LogP | 1.2597999999999998 | RDKit |
| 1.2598 | RDKit | |
| Molar Refractivity | 49.12100000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 194.0579088 g/mol | RDKit |
| Boiling Point | 283.7 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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.
External Resources
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Quick conversion
MW = 194.19 g/mol; density = 1.190 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H10O4.
