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4-(Methylthio)phenol

4-(Methylthio)phenol structure

CAS No:
1073-72-9
Formula:
C7H8OS
Chemical Name:
4-(Methylthio)phenol
Synonyms:
Phenol,4-(methylthio)-;Phenol,p-(methylthio)-;Phenol,p-methylmercapto-;4-(Methylthio)phenol;p-(Methylthio)phenol;p-Hydroxyphenyl methyl sulfide;4-(Methylmercapto)phenol;p-Hydroxythioanisole;Methyl 4-hydroxyphenyl sulfide;4-Hydroxyphenyl methyl sulfide;4-Methylsulfanylphenol;NSC 75840;4-(Methylsulfenyl)phenol;4-Hydroxythioanisole
Categories:
Agrochemicals > Pesticide Intermediates

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Description

White solid

4-(methylsulfanyl)phenol is an aryl sulfide and a member of phenols.

4-(Methylthio)phenol Basic Attributes

Molecular Weight：

140.2

Exact Mass：

140.20

EC Number：

214-031-4

UNII：

9T83QI0Z1L

NSC Number：

75840

DSSTox ID：

DTXSID3051547

HScode：

29309090

Characteristics

PSA：

45.5

XLogP3：

2.1

Appearance：

White to pale brown Powder or Crystalline Powder

Density：

1.1182 (rough estimate)

Melting Point：

83-84 °C

Boiling Point：

113 °C

Flash Point：

153-156°C/20mm

Refractive Index：

1.5530 (estimate)

Water Solubility：

Soluble in water 9.59 g/ l.

Vapor Pressure：

0.00432mmHg at 25°C

Safety Information

Hazard category：

STENCH

Transport codes：

UN 3335

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-37

RTECS Number：

SM1578500

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 49 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-(methylmercapto)phenol

4-(Methylthio)phenol Use and Manufacturing

Methods of Manufacturing

The preparation method is obtained by reacting phenol with dimethyl disulfide. Add phenol and dimethyl disulfide to the reactor, stir and cool and add concentrated sulfuric acid dropwise. After the addition, let stand for stratification. The oil layer is neutralized, washed with water, dried, and unreacted phenol and dimethyl are evaporated. After the disulfide, p-methylthiophenol is obtained. This product is white or almost white crystalline powder, insoluble in water, soluble in methanol, ethanol, easy to oxidize in the air, and has a special smell.

Uses

Used as an intermediate in organic synthesis

Manufacturing Info：

Phenol, 4-(methylthio)-: INACTIVE

Computed Properties

Molecular Weight:140.20
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:140.02958605
Monoisotopic Mass:140.02958605
Topological Polar Surface Area:45.5
Heavy Atom Count:9
Complexity:77
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Phenol

Dimethyl disulfide

Dimethyl sulfoxide

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