63860-13-9

Basic information

• Product Name: S-butyl hydroxy(phenyl)ethanethioate
• CAS NO: 63860-13-9
• Molecular Formula: C₁₂H₁₆O₂S
• Molecular Weight: 224.3192
• Mol File: 63860-13-9.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 346.4°C at 760 mmHg
• Flash Point: 163.3°C
• Density: 1.135g/cm³
• Vapor Pressure: 2.19E-05mmHg at 25°C
• Refractive Index: 1.559
• CAS DataBase Reference: S-butyl hydroxy(phenyl)ethanethioate(CAS DataBase Reference)
• NIST Chemistry Reference: S-butyl hydroxy(phenyl)ethanethioate(63860-13-9)
• EPA Substance Registry System: S-butyl hydroxy(phenyl)ethanethioate(63860-13-9)

Safety Data

• Hazardous Substances Data: 63860-13-9(Hazardous Substances Data)

Upstream product

• 109-79-5 n-butanethiol 
• 1074-12-0 phenylglyoxal hydrate 
• 611-71-2 MANDELIC ACID 
• 16273-01-1 (Phenylglyoxal)-butylthiohalbacetal 

Downstream Products

• 109-79-5 n-butanethiol 
• 611-71-2 MANDELIC ACID 

Relevant articles and documents

Reactions of Thiols with Phenylglyoxal to Give Thiomandelic S-Esters Formation of Hemithioacetals and Their Rearrangement

Equilibrium constants Kh for the addition of 2-mercaptoethanol and glutathione to phenylglyoxal to form hemithioacetals were determined spectrophotometrically over the pH range 7-10.The observed Kh values decrease sigmoidally with pH as the thiol ionizes.Rearrangement of hemithioacetals formed from phenylglyoxal and various thiols was kinetically investigated.The rates increase with thiol concentration following a saturation curve to give Kh identical with the spectrophotometric value.The rearrangement is subject to general base catalysis.The solvent isotope effect on the rate of the rearrangement, kH2O/kd2O, is nearly 1.0; that on the equilibrium, KH2Oh/KD2Oh, is 0.38.The results strongly support the mechanism involving proton transfers through an enediol intermediate.