Back to Search
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
Names and Synonyms:
Dimethyl Succinate
Butanedioic acid, 1,4-dimethyl ester
Succinic acid, dimethyl ester
Butanedioic acid, dimethyl ester
Dimethyl succinate
Methyl succinate
Dimethyl butanedioate
DBE 4
NSC 52209
Rhodiasolv RDEP
Dimethyl 1,4-butanedioate
Provichem 2511
Proviron 2511ECO
Identifiers:
SMILES:
COC(=O)CCC(=O)OC
InChI:
InChI=1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3
Key Properties
Boiling Point
195.3 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
19.5 °C
CAS Common Chemistry
Density
1.12 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 | 146.14 g/mol | CAS Common Chemistry |
| 146.142 g/mol | RDKit | |
| 146.0579088 g/mol | RDKit | |
| Density | 1.12 g/cm³ | CAS Common Chemistry |
| 1.1202 g/cm3 @ Temp: 18 °C | CAS Common Chemistry | |
| Boiling Point | 195.3 °C @ Press: 760 Torr | 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 |
| LogP | 0.11259999999999981 | RDKit |
| Molar Refractivity | 33.26599999999999 | RDKit |
