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1073-72-9

Basic Information
CAS No.: 1073-72-9
Name: 4-(Methylthio)phenol
Article Data: 78
Molecular Structure:
Molecular Structure of 1073-72-9 (4-(Methylthio)phenol)
Formula: C7H8OS
Molecular Weight: 140.206
Synonyms: Phenol,p-(methylthio)- (6CI,7CI,8CI);Phenol, p-methylmercapto- (4CI);4-(Methylmercapto)phenol;4-(Methylsulfenyl)phenol;4-Hydroxyphenyl methyl sulfide;4-Methylsulfanylphenol;Methyl 4-hydroxyphenylsulfide;NSC 75840;p-(Methylthio)phenol;p-Hydroxyphenyl methyl sulfide;p-Hydroxythioanisole;
EINECS: 214-031-4
Density: 1.19 g/cm3
Melting Point: 84-86 °C
Boiling Point: 269.7 °C at 760 mmHg
Flash Point: 127.7 °C
Solubility: Soluble in water 9.59 g/ l.
Appearance: Off-white to light purple crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 45.53000
LogP: 2.11410
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Chemistry

Molecular Structure of 4-(Methylthio)phenol (CAS NO.1073-72-9):

IUPAC Name: 4-methylsulfanylphenol 
Empirical Formula: C7H8OS
Molecular Weight: 140.2028
H bond acceptors: 1
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 34.53Å2
Index of Refraction: 1.613
Molar Refractivity: 40.92 cm3
Molar Volume: 117.4 cm3
Surface Tension: 49.2 dyne/cm
Density: 1.19 g/cm3
Flash Point: 127.7 °C
Enthalpy of Vaporization: 52.83 kJ/mol
Boiling Point: 269.7 °C at 760 mmHg
Vapour Pressure: 0.00432 mmHg at 25°C
EINECS: 214-031-4
Melting Point: 85-87 °C
InChI
InChI=1/C7H8OS/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3
Smiles
c1(ccc(O)cc1)SC
Product Categories: Phenoles and thiophenoles; Protection & Derivatization Reagents (for Synthesis); Synthetic Organic Chemistry

Toxicity Data With Reference

1.    

ice-mus LD50:60 mg/kg

    PCBPBS    Pesticide Biochemistry and Physiology. 8 (1978),302.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intracerebral route. When heated to decomposition it emits toxic vapors of SOx.
Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: SM1578500
HazardClass: Stench

Specification

  4-(Methylthio)phenol , with CAS number of 1073-72-9, can be called 4-Methylmercaptophenol ; p-(Methylthio)phenol . 4-(Methylthio)phenol (CAS NO.1073-72-9) is used as three asymmetric organic phosphorus insecticide sulfur C phosphorus intermediates, organic synthesis intermediates.