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| CAS No.: | 6262-87-9 |
|---|---|
| Name: | 2-(1-Methylethyl)thiophenol |
| Molecular Structure: | |
|
|
|
| Formula: | C9H12S |
| Molecular Weight: | 152.26 |
| Synonyms: | Benzenethiol,o-isopropyl- (6CI);o-Cumenethiol (7CI,8CI);2-(1-Methylethyl)benzenethiol;2-Isopropylbenzenethiol;2-Isopropylphenyl mercaptan; |
| Density: | 1 g/cm3 |
| Boiling Point: | 220 °C at 760 mmHg |
| Flash Point: | 86.1 °C |
| Appearance: | Colorless to light yellow liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | R34 |
| Safety: | S26;S27;S36/37/39;S45 |
| Transport Information: | UN 3265 |
| PSA: | 38.80000 |
| LogP: | 3.09870 |
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Chemistry
Molecular Structure of Benzenethiol,2-(1-methylethyl)- (CAS NO.6262-87-9):
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IUPAC Name: 2-propan-2-ylbenzenethiol
Empirical Formula: C9H12S
Molecular Weight: 152.2566
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 25.3Å2
Index of Refraction: 1.552
Molar Refractivity: 48.61 cm3
Molar Volume: 152.1 cm3
Surface Tension: 35.3 dyne/cm
Density: 1 g/cm3
Flash Point: 86.1 °C
Enthalpy of Vaporization: 43.78 kJ/mol
Boiling Point: 220 °C at 760 mmHg
Vapour Pressure: 0.171 mmHg at 25°C
InChI
InChI=1/C9H12S/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3
Smiles
c1(c(S)cccc1)C(C)C
Product Categories: Phenol&Thiophenol&Mercaptan
Safety Profile
Hazard Codes: 
C
Risk Statements: 34
R34:Causes burns.
Safety Statements: 26-27-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S27:Take off immediately all contaminated clothing.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3265 8/PG 2
WGK Germany: 3
HazardClass: 8
PackingGroup: III
Specification
Benzenethiol,2-(1-methylethyl)- , with CAS number of 6262-87-9, can be called Benzenethiol,o-isopropyl- (6CI) ; o-Cumenethiol (7CI,8CI) ; 2-(1-Methylethyl)benzenethiol ; 2-Isopropylbenzenethiol ; 2-Isopropylphenyl mercaptan .