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Molecule
Dimethyl Succinate
CAS: 106-65-0 · C6H10O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 106-65-0
- Molecular Formula
- C6H10O4
- Molecular Mass
- 146.14 g/mol
Identifiers
CAS Registry Number
106-65-0
SMILES
COC(=O)CCC(=O)OC
InChI Key
MUXOBHXGJLMRAB-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3
Names and Synonyms
- Dimethyl Succinate Synonym
- Butanedioic acid, 1,4-dimethyl ester Synonym
- Succinic acid, dimethyl ester Synonym
- Butanedioic acid, dimethyl ester Synonym
- Dimethyl succinate Synonym
- Methyl succinate Synonym
- Dimethyl butanedioate Synonym
- DBE 4 Synonym
- NSC 52209 Synonym
- Rhodiasolv RDEP Synonym
- Dimethyl 1,4-butanedioate Synonym
- Provichem 2511 Synonym
- Proviron 2511ECO Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 146.14 g/mol | CAS Common Chemistry |
| 146.142 g/mol | RDKit | |
| Density | 1.12 g/cm³ | CAS Common Chemistry |
| 1.1202 g/cm3 @ 18 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(OC)CCC(=O)OC | CAS Common Chemistry |
| InChI | InChI=1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MUXOBHXGJLMRAB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 19.5 °C | CAS Common Chemistry |
| Name | Dimethyl succinate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.60000000000001 Ų | RDKit |
| 52.6 Ų | RDKit | |
| LogP | 0.11259999999999981 | RDKit |
| 0.1126 | RDKit | |
| Molar Refractivity | 33.26599999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 146.0579088 g/mol | RDKit |
| Boiling Point | 195.3 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 146.14 g/mol; density = 1.120 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H10O4.
