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(R)-(-)-1-Phenyl-1,2-ethanediol 2-tosylate

  • Name (R)-(-)-1-Phenyl-1,2-ethanediol 2-tosylate
  • EINECS254-918-3
  • CAS No. 40434-87-5
  • Density1.274 g/cm3
  • PSA71.98000
  • LogP3.51470
  • SolubilityN/A
  • Melting Point79-81°C
  • FormulaC15H16O4S
  • Boiling Point480.6 °C at 760 mmHg
  • Molecular Weight292.356
  • Flash Point244.5 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety22-24/25
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 40434-87-5 ((R)-(-)-1-PHENYL-1,2-ETHANEDIOL 2-TOSYLATE)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data30

(R)-(-)-1-Phenyl-1,2-ethanediol 2-tosylate Specification

The (R)-(-)-1-Phenyl-1,2-ethanediol 2-tosylate, with the CAS registry number 40434-87-5 and EINECS registry number 254-918-3, has the systematic name of (2R)-2-hydroxy-2-phenylethyl 4-methylbenzenesulfonate. And the molecular formula of this chemical is C15H16O4S. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.

The physical properties of (R)-(-)-1-Phenyl-1,2-ethanediol 2-tosylate are as followings: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.51; (4)ACD/LogD (pH 7.4): 2.51; (5)ACD/BCF (pH 5.5): 47.61; (6)ACD/BCF (pH 7.4): 47.61; (7)ACD/KOC (pH 5.5): 552.7; (8)ACD/KOC (pH 7.4): 552.7; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 60.98 Å2; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 77.41 cm3; (15)Molar Volume: 229.3 cm3; (16)Polarizability: 30.69×10-24cm3; (17)Surface Tension: 50.3 dyne/cm; (18)Density: 1.274 g/cm3; (19)Flash Point: 244.5 °C; (20)Enthalpy of Vaporization: 78.49 kJ/mol; (21)Boiling Point: 480.6 °C at 760 mmHg; (22)Vapour Pressure: 4.77E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(OCC(O)c1ccccc1)c2ccc(cc2)C
(2)InChI: InChI=1/C15H16O4S/c1-12-7-9-14(10-8-12)20(17,18)19-11-15(16)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3
(3)InChIKey: IOTJIFRGXYQHAQ-UHFFFAOYAD

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