Systematic Name: 4-(Propan-2-yl)benzenethiol
SMILES: Sc1ccc(cc1)C(C)C
InChI: InChI=1/C9H12S/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3
InChIKey: APDUDRFJNCIWAG-UHFFFAOYAI
Empirical Formula: C9H12S
Molecular Weight: 152.2566
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 2
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: 86.4 °C
Enthalpy of Vaporization: 43.31 kJ/mol
Boiling Point: 215.1 °C at 760 mmHg
Vapour Pressure: 0.22 mmHg at 25 °C
storage temp.: Refrigerator
Sensitive: Stench
Appearance: Transparent liquid.
Product Categories of Benzenethiol,4-(1-methylethyl)- (CAS NO.4946-14-9): Phenol & Thiophenol & Mercaptan; Phenoles and thiophenoles; Organic Building Blocks; Sulfur Compounds; Thiols / Mercaptans
Hazard Codes: C
Risk Statements: 20/21/22-34
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R34:Causes burns.
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.
RIDADR: UN 2922 8/PG 2
WGK Germany: 3
HazardClass: 8
PackingGroup of Benzenethiol,4-(1-methylethyl)- (CAS NO.4946-14-9): III
Benzenethiol,4-(1-methylethyl)- (CAS NO.4946-14-9), its Synonyms are (4-Isopropyl)thiophenol ; Benzenethiol, 4-(1-methylethyl)- ; 4-(Isopropyl)benzenethiol ; Benzenethiol,p-isopropyl- (6CI) .
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