50390-78-8

Basic information

• Product Name: 1-METHOXY-2-METHYL-4-(METHYLTHIO)BENZENE, 97
• Synonyms: 1-METHOXY-2-METHYL-4-(METHYLTHIO)BENZENE, 97;1-methoxy-2-methyl-4-(methylthio)benzene;1-methoxy-2-methyl-4-methylsulfanylbenzene
• CAS NO: 50390-78-8
• Molecular Formula: C₉H₁₂OS
• Molecular Weight: 168.25598
• Mol File: 50390-78-8.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 259 °C(lit.)
• Flash Point: 113 °C
• Appearance: /
• Density: 1.504 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0215mmHg at 25°C
• Refractive Index: n20/D 1.574(lit.)
• CAS DataBase Reference: 1-METHOXY-2-METHYL-4-(METHYLTHIO)BENZENE, 97(CAS DataBase Reference)
• NIST Chemistry Reference: 1-METHOXY-2-METHYL-4-(METHYLTHIO)BENZENE, 97(50390-78-8)
• EPA Substance Registry System: 1-METHOXY-2-METHYL-4-(METHYLTHIO)BENZENE, 97(50390-78-8)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39
• Hazardous Substances Data: 50390-78-8(Hazardous Substances Data)

Usage

Molecular weight

164.25 g/mol

Physical state

Colorless to pale yellow liquid

Odor

Sweet, aromatic

Common uses

Flavoring agent in food and beverage industry, production of vanilla flavorings and fragrances

Hazards

Harmful if swallowed or inhaled, may cause skin and eye irritation upon contact

InChI:InChI=1/C9H12OS/c1-7-6-8(11-3)4-5-9(7)10-2/h4-6H,1-3H3

Upstream product

• 698-32-8 4-methoxy-3-methylbenzenethiol 
• 77-78-1 dimethyl sulfate 
• 624-92-0 Dimethyldisulphide 
• 578-58-5 2-methylmethoxybenzene 
• 3795-76-4 4-methylthio-o-cresol 
• 74-88-4 methyl iodide 
• 1879-16-9 1-methoxy-4-methylsulfanyl-benzene 
• 84910-98-5 4-methoxy-3-methylbenzene-1-sulfonyl chloride 
• 95-48-7 ortho-cresol 
• 7379-36-4 dimethyl(4-hydroxy-3-methylphenyl)sulfonium chloride 

Downstream Products

• 84910-72-5 5-methoxy-4-methyl-2-(methylthio)benzaldehyde 
• 84910-85-0 1-Methoxy-2-methyl-4-methylsulfanyl-5-((E)-2-nitro-propenyl)-benzene 
• 84910-74-7 4-methoxy-2,5-dimethylphenyl methyl sulphide 
• 50390-76-6 2-methoxy-5-methylsulphonylbenzoic acid 
• 50390-79-9 4-methoxy-3-methylphenyl methyl sulfone 
• 74359-41-4 4-Methoxy-3-methylphenyl methyl sulphoxide 

Relevant articles and documents

An Efficient Synthesis of Unsymmetrical Sulfides from Organic Disulfides and Aromatic Compounds

In the presence of an active acidic catalyst generated from SbCl5 and AgSbF6, the sulfenylation reaction of aromatic compounds with organic disulfides smoothly proceeds in refluxing 1,2-dichloroethane to afford the corresponding unsymmetrical sulfides in high yields.

METALATION REACTIONS. XIV. REGIOSPECIFIC PREPARATION OF POLYSUBSTITUTED BENZENES VIA MONO- OR DI-LITHIATION REACTIONS OF AROMATIC THIOETHERS

The preparation of polyfunctionalized aromatic thioethers either by one-step dilithiation or by two successive one-flask monometalation reactions is described.By acting on 1 two equal or different electrophiles one on the thiomethyl group and one in the ortho-position with respect to it are introduced; by acting on 11 and on 35 the substitution involves the thiomethyl carbon atom and that in the ortho-position with respect to the alkoxy group.In the case of the homologeous isopropylthio (23) the substitution involves the two aryl carbon atoms in the ortho-position to both functions.In the case of the p-disubstituted isomers (49, 59) analogous behaviour to ortho isomers in one-step metalation reaction is observed, while the two hydrogen atoms in the ortho-positions to the methoxy group are substituted when two successive monometalations are employed.The metalation of 40 results low selective.The behaviour of 79 and 93 is analogous to 1, while 72, 88 and 96 undergo only one-step monometalation reactions.