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623-13-2

623-13-2 Structure

623-13-2 Structure
IdentificationMore
[Name]

(4-Methylthio)toluene
[CAS]

623-13-2
[Synonyms]

1-METHYL-4-(METHYLTHIO)BENZENE
4-METHYLTHIOANISOLE
4-(METHYLTHIO)TOLUENE
METHYL P-TOLYL SULFIDE
METHYL P-TOLYL SULPHIDE
1-Methyl-4-(methylsulfanyl)benzene
1-methyl-4-(methylthio)-benzen
4-Methyl-(1-thiaethyl)benzene
Methyl p-cresyl sulfide
p-(Methylthio)toluene
p-Cresyl methyl sulfide
p-Methylphenyl methyl sulfide
p-Tolyl methyl sulfide
Sulfide, methyl p-tolyl
methyl(p-tolyl)sulfane
4-Methylphenyl methyl sulfide
[EINECS(EC#)]

210-773-8
[Molecular Formula]

C8H10S
[MDL Number]

MFCD00008560
[Molecular Weight]

138.23
[MOL File]

623-13-2.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to light yellow liquid
[Boiling point ]

52-54 °C1 mm Hg(lit.)
[density ]

1.027 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.573(lit.)
[Fp ]

185 °F
[form ]

clear liquid
[color ]

Colorless to Light yellow
[Specific Gravity]

1.027
[BRN ]

1905733
[InChI]

1S/C8H10S/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3
[InChIKey]

VHILIAIEEYLJNA-UHFFFAOYSA-N
[SMILES]

CSc1ccc(C)cc1
[LogP]

3.130
[CAS DataBase Reference]

623-13-2(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzene, 1-methyl-4-(methylthio)-(623-13-2)
[EPA Substance Registry System]

623-13-2(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[RIDADR ]

3334
[WGK Germany ]

3
[TSCA ]

T
[HazardClass ]

9
[HS Code ]

29309090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

S-Methyl-S-(4-methylphenyl) sulfoximine-->5-Methylthianaphthene-->Di-p-tolylamine
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to light yellow liquid
[Uses]

Methyl p-Tolyl Sulfide (CAS# 623-13-2) can be used as a potential for drug interaction mediation by polymorphic flavin-containing monooxygenase 3 in human livers. It can also be used to analyze peroxide in laundry detergents using liquid chromatography.
[Definition]

ChEBI: Methyl p-tolyl sulfide is an aryl sulfide that is thioanisole in which the hydrogen at the para position has been replaced by a methyl group. It is an aryl sulfide and a member of toluenes.
[Synthesis Reference(s)]

Synthesis, p. 890, 1981 DOI: 10.1055/s-1981-29635
[General Description]

Aerobic oxidation of methyl p-tolyl sulfide catalyzed by a heteroscorpionate Ru(II)-aqua complex has been reported. Chloroperoxidase catalyzed oxidation of methyl p-tolyl sulfide has been reported.
Spectrum DetailBack Directory
[Spectrum Detail]

(4-Methylthio)toluene(623-13-2)MS
(4-Methylthio)toluene(623-13-2)1HNMR
(4-Methylthio)toluene(623-13-2)13CNMR
(4-Methylthio)toluene(623-13-2)IR1
(4-Methylthio)toluene(623-13-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Methyl p-tolyl sulfide, 99%(623-13-2)
[Alfa Aesar]

Methyl p-tolyl sulfide, 97%(623-13-2)
[Sigma Aldrich]

623-13-2(sigmaaldrich)
[TCI AMERICA]

4-(Methylthio)toluene,>98.0%(GC)(623-13-2)
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