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| CAS No.: | 1073-72-9 |
|---|---|
| Name: | 4-(Methylthio)phenol |
| Molecular Structure: | |
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| 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: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 45.53000 |
| LogP: | 2.11410 |
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Molecular Structure of 4-(Methylthio)phenol (CAS NO.1073-72-9):
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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
| 1. | ice-mus LD50:60 mg/kg | PCBPBS Pesticide Biochemistry and Physiology. 8 (1978),302. |
Reported in EPA TSCA Inventory.
Poison by intracerebral route. When heated to decomposition it emits toxic vapors of SOx.
Hazard Codes: 
Xi
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
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.
