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Dimethyl (R)-(+)-methylsuccinate

  • Name Dimethyl (R)-(+)-methylsuccinate
  • EINECSN/A
  • CAS No. 22644-27-5
  • Density1.076 g/cm3
  • PSA52.60000
  • LogP0.35860
  • SolubilityN/A
  • Melting Point140-145 °C (decomp)
  • FormulaC7H12O4
  • Boiling Point195.999 °C at 760 mmHg
  • Molecular Weight160.17
  • Flash Point83.333 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety23-24/25
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 22644-27-5 (Dimethyl (R)-(+)-methylsuccinate)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data154

Dimethyl (R)-(+)-methylsuccinate Specification

The Dimethyl (R)-(+)-methylsuccinate, with CAS registry number 22644-27-5, belongs to the following product categories: (1)Chiral Building Blocks; (2)Esters (Chiral); (3)Synthetic Organic Chemistry; (4)Chiral Building Blocks; (5)Esters; (6)Organic Building Blocks. It has the systematic name of dimethyl (2R)-2-methylbutanedioate. When use this chemical, do not breathe vapour and avoid contact with skin and eyes.

Physical properties of Dimethyl (R)-(+)-methylsuccinate: (1)ACD/LogP: 0.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 47; (8)ACD/KOC (pH 7.4): 47; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.416; (14)Molar Refractivity: 37.987 cm3; (15)Molar Volume: 151.424 cm3; (16)Polarizability: 15.059×10-24cm3; (17)Surface Tension: 31.067 dyne/cm; (18)Enthalpy of Vaporization: 43.22 kJ/mol; (19)Vapour Pressure: 0.408 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C[C@H](C(=O)OC)C
(2)InChI: InChI=1/C7H12O4/c1-5(7(9)11-3)4-6(8)10-2/h5H,4H2,1-3H3/t5-/m1/s1
(3)InChIKey: NFOQJNGQQXICBY-RXMQYKEDBF
(4)Std. InChI: InChI=1S/C7H12O4/c1-5(7(9)11-3)4-6(8)10-2/h5H,4H2,1-3H3/t5-/m1/s1
(5)Std. InChIKey: NFOQJNGQQXICBY-RXMQYKEDSA-N

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