63996-66-7

Basic information

• Product Name: 2-METHYL-2-(PHENYLSULFANYL)PROPANAL
• Synonyms: 2-METHYL-2-(PHENYLSULFANYL)PROPANAL;2-Methyl-2-(phenylthio)propanal
• CAS NO: 63996-66-7
• Molecular Formula: C₁₀H₁₂OS
• Molecular Weight: 180.27
• Mol File: 63996-66-7.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 112-116°C 4mm
• Flash Point: 108.5°C
• Appearance: /
• Density: 1.07g/cm³
• Vapor Pressure: 0.0201mmHg at 25°C
• Refractive Index: 1.553
• CAS DataBase Reference: 2-METHYL-2-(PHENYLSULFANYL)PROPANAL(CAS DataBase Reference)
• NIST Chemistry Reference: 2-METHYL-2-(PHENYLSULFANYL)PROPANAL(63996-66-7)
• EPA Substance Registry System: 2-METHYL-2-(PHENYLSULFANYL)PROPANAL(63996-66-7)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 63996-66-7(Hazardous Substances Data)

Usage

General Description

2-METHYL-2-(PHENYLSULFANYL)PROPANAL is a chemical compound with the molecular formula C10H12OS. It is a colorless to pale yellow liquid with a fruity odor, and is commonly used as a flavor and fragrance ingredient in various consumer products. 2-METHYL-2-(PHENYLSULFANYL)PROPANAL is also known for its potential antimicrobial properties, making it useful in applications such as food preservation and personal care products. Additionally, 2-METHYL-2-(PHENYLSULFANYL)PROPANAL is used in the synthesis of pharmaceuticals and other organic compounds, making it a versatile chemical compound with a range of industrial and commercial applications.

InChI:InChI=1/C10H12OS/c1-10(2,8-11)12-9-6-4-3-5-7-9/h3-8H,1-2H3

Upstream product

• 917-93-1 2-chloroisobutyraldehyde 
• 930-69-8 sodium thiophenolate 
• 78614-64-9 1-Methoxy-1-(phenylsulfanyl)-2-methylpropan-2-ol 
• 4773-53-9 1,1-dichloro-2-hydroxy-2-methylpropane 
• 108-98-5 thiophenol 
• 128564-07-8 (2-Methyl-prop-1-ene-1-sulfinyl)-benzene 
• 13865-50-4 methoxymethyl phenyl sulfide 
• 84980-55-2 2-methyl-2-phenylthiopropanal tosylhydrazone 
• 139058-73-4 1,1-diacetoxy-2-methyl-2-(phenylsulfenyl)propane 
• 78-84-2 isobutyraldehyde 
• 882-33-7 diphenyldisulfane 
• 33695-62-4 2-methyl-2-phenylsulfanylpropanenitrile 

Downstream Products

• 163977-86-4 5-Methyl-5-phenylsulfanyl-hexane-1,4-diol 
• 174784-05-5 Ethyl 3-hydroxy-4-methyl-4-phenylsulfanylpentanedithioate 
• 61737-13-1 (1-Isopropenyl-4-methyl-pentylsulfanyl)-benzene 
• 702-00-1 (2-methylallyl)(phenyl)sulfane 
• 179806-67-8 2,5-Dimethyl-5-phenylsulfanyl-hexane-2,4-diol 

Relevant articles and documents

Stereochemical control in the synthesis of tetrahydrofurans by cyclisation of diols with [1,2]phenylsulfanyl migration

Acid catalysed rearrangement of a series of 4-PhS-1,3-diols with toluene-p-sulfonic acid in benzene gives stereospecifically substituted 3-PhS-tetrahydrofurans in excellent yield via a [1,2]-SPh shift. We comment on the structural variation at both the migration origin and terminus on the outcome of the title reaction and define its limits.

Pyridine derivatives

The invention concerns novel, pharmaceutically useful 1,3-dioxane alkenoic acid derivatives of the formula I containing a pyridyl moiety at position 4 of the dioxane ring and in which the groups at positions 2, 4 and 5 have cis-relative stereochemistry, X is hydrogen, alkoxy or hydroxy, Y is vinylene, n is 1 or 2, A1 is alkylene, the substituents R1 and R2 at position 2 of the dioxane ring have a variety of values defined hereinafter, and R4 is hydroxy, a physiologically acceptable alcohol residue or alkanesulphonamido, and the pharmaceutically acceptable salts thereof. The invention also includes processes for the manufacture and use of the acid derivatives as well as pharmaceutical compositions for therapeutic use in one or more of a variety of diseases such as ischaemic heart disease, cerebrovascular disease, asthmatic disease and/or inflammatory disease.

A novel synthesis of α-(phenylthio)aldehydes

Addition of methoxy(phenylthio)methyllithium to ketones, followed by rearrangement of the adducts, provides a new method for the preparation of α-(phenylthio)aldehydes.The rearrangement is stereospecific.