Cas no 1604-11-1 (Dimethyl 2-methylsuccinate)

Dimethyl 2-methylsuccinate structure
Dimethyl 2-methylsuccinate structure
Product Name:Dimethyl 2-methylsuccinate
CAS No:1604-11-1
MF:C7H12O4
MW:160.167782783508
MDL:MFCD00008449
CID:117864
PubChem ID:24850770
Update Time:2025-04-18

Dimethyl 2-methylsuccinate Chemical and Physical Properties

Names and Identifiers

    • Dimethyl 2-methylsuccinate
    • Ethyl methyl ester of butanedioic acid
    • methyl-butanedioicacidimethylester
    • Methylsuccinic acid dimethyl ester
    • Succinic acid, methyl-, dimethyl ester
    • 2-Methylsuccinic acid dimethyl
    • 2-Methylsuccinic acid dimethyl ester
    • Butanedioic acid,2-methyl-, 1,4-dimethyl ester
    • DIMETHYL METHYLSUCCINATE
    • 2-Methyl-succinic acid dimethyl ester
    • Butanedioic acid, 2-methyl-, dimethyl ester
    • (Methyl)butanedioic acid dimethyl ester
    • AS-19222
    • NS00046422
    • EINECS 216-506-1
    • SB44881
    • FT-0693235
    • FT-0694960
    • Butanedioic acid, methyl-, dimethyl ester
    • A816295
    • AI3-28480
    • AKOS015915773
    • Dimethyl methylsuccinate, 98%
    • J-009719
    • dimethyl 2-methylbutanedioate
    • BAA60411
    • n-methylthiopyrrolidone
    • MFCD00008449
    • Butanedioic acid, 2-methyl-, 1,4-dimethyl ester
    • 1,4-dimethyl 2-methylbutanedioate
    • CS-0204877
    • SCHEMBL186433
    • SB45286
    • 1604-11-1
    • DTXSID10870892
    • dimethyl 2-methyl-succinate
    • A853562
    • FT-0638245
    • DB-052534
    • DB-045960
    • MDL： MFCD00008449
    • Inchi： 1S/C7H12O4/c1-5(7(9)11-3)4-6(8)10-2/h5H,4H2,1-3H3
    • InChI Key： NFOQJNGQQXICBY-UHFFFAOYSA-N
    • SMILES： O(C)C(C(C)CC(=O)OC)=O

Computed Properties

  • Exact Mass: 160.07356
  • Monoisotopic Mass: 160.074
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 5
  • Complexity: 153
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 0.4
  • Topological Polar Surface Area: 52.6A^2

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.076?g/mL?at 25?°C(lit.)
  • Melting Point: Not available
  • Boiling Point: 196?°C(lit.)
  • Flash Point: Fahrenheit: 181.4 ° f < br / > Celsius: 83 ° C < br / >
  • Refractive Index: n20/D 1.42(lit.)
  • Solubility: Slightly soluble (26 g/l) (25 o C),
  • PSA: 52.6
  • LogP: 0.35860
  • Solubility: Not determined
  • Vapor Pressure: 0.4±0.3 mmHg at 25°C

Dimethyl 2-methylsuccinate Security Information

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