Product Name

  • Name

    MONO-ISOAMYL2,3-DIMERCAPTOSUCCINATE

  • EINECS
  • CAS No. 142609-62-9
  • Article Data2
  • CAS DataBase
  • Density 1.234g/cm3
  • Solubility
  • Melting Point
  • Formula C9H16 O4 S2
  • Boiling Point 385.8°Cat760mmHg
  • Molecular Weight 252.356
  • Flash Point 187.1°C
  • Transport Information
  • Appearance
  • Safety Experimental reproductive effects. When heated to decomposition it emits toxic vapors of SOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 142609-62-9 (MONO-ISOAMYL2,3-DIMERCAPTOSUCCINATE)
  • Hazard Symbols
  • Synonyms Butanedioicacid, 2,3-dimercapto-, mono(3-methylbutyl) ester, (2R,3S)-rel- (9CI); Butanedioicacid, 2,3-dimercapto-, mono(3-methylbutyl) ester, (R*,S*)-; Isoamyl2,3-dimercaptosuccinate; Monoisoamyl meso-2,3-dimercaptosuccinate
  • PSA 141.20000
  • LogP 1.25710

Monoisoamyl meso-2,3-dimercaptosuccinate Chemical Properties

Molecule structure of Monoisoamyl meso-2,3-dimercaptosuccinate (CAS NO.142609-62-9):

IUPAC Name: (2S,3R)-4-(3-Methylbutoxy)-4-oxo-2,3-bis(sulfanyl)butanoic acid 
Molecular Weight: 252.35094 g/mol
Molecular Formula: C9H16O4S2 
Density: 1.234 g/cm3 
Boiling Point: 385.8 °C at 760 mmHg 
Flash Point: 187.1 °C
Index of Refraction: 1.526
Molar Refractivity: 62.75 cm3
Molar Volume: 204.4 cm3
Polarizability: 24.87×10-24 cm3
Surface Tension: 46 dyne/cm 
Enthalpy of Vaporization: 69.67 kJ/mol
Vapour Pressure: 5.06E-07 mmHg at 25 °C 
XLogP3-AA: 2.1
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 7
Exact Mass: 252.049
MonoIsotopic Mass: 252.049
Topological Polar Surface Area: 63.6
Heavy Atom Count: 15
Complexity: 230
Defined Atom StereoCenter Count: 2
Canonical SMILES: CC(C)CCOC(=O)C(C(C(=O)O)S)S
Isomeric SMILES: CC(C)CCOC(=O)[C@H]([C@H](C(=O)O)S)S
InChI: InChI=1S/C9H16O4S2/c1-5(2)3-4-13-9(12)7(15)6(14)8(10)11/h5-7,14-15H,3-4H2,1-2H3,(H,10,11)/t6-,7+/m1/s1
InChIKey of Monoisoamyl meso-2,3-dimercaptosuccinate (CAS NO.142609-62-9): RIBYSYWXWXMDSW-RQJHMYQMSA-N

Monoisoamyl meso-2,3-dimercaptosuccinate Safety Profile

Experimental reproductive effects. When heated to decomposition it emits toxic vapors of SOx.

Monoisoamyl meso-2,3-dimercaptosuccinate Specification

 Monoisoamyl meso-2,3-dimercaptosuccinate (CAS NO.142609-62-9) is also named as Mono(3-methylbutyl) 2,3-dimercaptobutanedioate (R*,S*)- ; Monoisoamyl-2,3-dimercaptosuccinate ; Butanedioic acid, 2,3-dimercapto-, mono(3-methylbutyl) ester, (R*,S*)- .

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