Basic information
- Name:
Butanedioic acid,2,2-dimethyl-, 1-methyl ester
- Superlist Name:
- 1-Methyl 2,2-dimethylsuccinate
- CAS No.:
32980-26-0
- Molecular Structure:
- Formula:
- C7H12O4
- Molecular Weight:
- 160.17
- Synonyms:
- Succinicacid, 2,2-dimethyl-, 1-methyl ester (6CI,7CI);2,2-Dimethylbutanedioic acid 1-methyl ester;3-Carbomethoxy-3-methylbutanoicacid;
- Density:
- 1.126 g/cm3
- Boiling Point:
- 256.155 °C at 760 mmHg
- Flash Point:
- 100.614 °C
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Chemistry
Molecular Structure of 1-Methyl 2,2-dimethylsuccinate (CAS NO.32980-26-0):
Systematic Name: 4-Methoxy-3,3-dimethyl-4-oxobutanoic acid
SMILES: CC(C)(CC(=O)O)C(=O)OC
InChI: InChI=1/C7H12O4/c1-7(2,4-5(8)9)6(10)11-3/h4H2,1-3H3,(H,8,9)
InChIKey: NENLLFGJFVVZEU-UHFFFAOYAZ
Empirical Formula: C7H12O4
Molecular Weight: 160.1678
Nominal Mass: 160
Average Mass: 160.1678
Monoisotopic Mass: 160.073559
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 4
Index of Refraction: 1.444
Molar Refractivity: 37.78 cm3
Molar Volume: 142.2 cm3
Surface Tension: 37.6 dyne/cm
Density: 1.126 g/cm3
Flash Point: 100.6 °C
Enthalpy of Vaporization: 54.35 kJ/mol
Boiling Point: 256.2 °C at 760 mmHg
Vapour Pressure: 0.00479 mmHg at 25 °C
Mol File: 32980-26-0.mol
Specification
1-Methyl 2,2-dimethylsuccinate (CAS NO.32980-26-0), its Synonyms are 2,2-Dimethylsuccinic 1-methyl ester ; 2,2-Dimethylbutanedioic acid 1-methyl ester ; 2,2'-Dimethyl succinic methyl ester ; Butanedioic acid,2,2-dimethyl-, 1-methyl ester ; Succinicacid, 2,2-dimethyl-, 1-methyl ester (6CI,7CI) .
