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Monomethyl Succinate
CAS: 3878-55-5 | C5H8O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3878-55-5
Molecular Formula:
C5H8O4
Molecular Mass:
132.11 g/mol
Names and Synonyms:
Monomethyl Succinate
Butanedioic acid, 1-methyl ester
Succinic acid, monomethyl ester
Butanedioic acid, monomethyl ester
Succinic acid, methyl ester
Monomethyl succinate
Methyl hydrogen succinate
3-Carbomethoxypropanoic acid
3-(Methoxycarbonyl)propionic acid
NSC 511
4-Methoxy-4-oxobutanoic acid
3-(Methoxycarbonyl)propanoic acid
Methyl monosuccinate
Monomethyl butanedioate
FEMA GRAS 3810
1,4-Butanedioic acid monomethyl ester
Identifiers:
SMILES:
COC(=O)CCC(=O)O
InChI:
InChI=1S/C5H8O4/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3,(H,6,7)
Key Properties
Boiling Point
119 °C @ Press: 4 Torr
CAS Common Chemistry
Melting Point
58 °C
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 | 132.11 g/mol | CAS Common Chemistry |
| 132.115 g/mol | RDKit | |
| 132.042258736 g/mol | RDKit | |
| Boiling Point | 119 °C @ Press: 4 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CCC(=O)OC | CAS Common Chemistry |
| InChI | InChI=1S/C5H8O4/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3,(H,6,7) | CAS Common Chemistry |
| InChI Key | InChIKey=JDRMYOQETPMYQX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 58 °C | CAS Common Chemistry |
| Name | Monomethyl succinate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.60000000000001 Ų | RDKit |
| LogP | 0.02419999999999972 | RDKit |
| Molar Refractivity | 28.885799999999985 | RDKit |
