54576-42-0

Basic information

• Product Name: Isopropyl(phenethyl) sulfide
• Synonyms: Isopropyl(phenethyl) sulfide;Benzene, [2-[(1-methylethyl)thio]ethyl]-
• CAS NO: 54576-42-0
• Molecular Formula: C₁₁H₁₆S
• Molecular Weight: 180.3097
• Mol File: 54576-42-0.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 266°Cat760mmHg
• Flash Point: 106.6°C
• Appearance: /
• Density: 0.968g/cm³
• Vapor Pressure: 0.0145mmHg at 25°C
• Refractive Index: 1.531
• CAS DataBase Reference: Isopropyl(phenethyl) sulfide(CAS DataBase Reference)
• NIST Chemistry Reference: Isopropyl(phenethyl) sulfide(54576-42-0)
• EPA Substance Registry System: Isopropyl(phenethyl) sulfide(54576-42-0)

Safety Data

• Hazardous Substances Data: 54576-42-0(Hazardous Substances Data)

Usage

InChI:InChI=1/C11H16S/c1-10(2)12-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

Upstream product

• 60-12-8 2-phenylethanol 
• 4455-09-8 2-phenylethyl tosylate 
• 75-33-2 2-propanethiol 

Relevant articles and documents

DISTINGUISHING IONIZATION FROM SULFUR P-TYPE LONE PAIR ORBITALS AND CARBON ?-MOLECULAR ORBITALS BY He I/He II PHOTOELECTRON SPECTROSCOPY

He I and He II photoelectron spectra of methylthiomethylbenzene (2), 2-(1-methylethylthio)ethylbenzene (3), 1-naphthalenemethanethiol (4), 1,1-dimethylethylthiobenzene (5), benzenethiol (6), and methylthiobenzene (7) are reported.Comparison of the He I and He II band areas for each compound provide a reliable basis for assigning the bands as due to photoionization from a carbon ?-molecular orbital, sulfur p-type lone pair orbital, or mixed orbital.Ionization from a molecular orbital localized on sulfur results in a large decrease in intensity using He II compared with He I as the source relative to ionization from carbon ?-molecular orbitals.Mixed orbitals with both sulfur and carbon character also give rise to diminished intensities in the He II versus He I spectra relative to pure carbon orbitals, but proportionately less decrease than pure sulfur orbitals.