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Cas Database |
| Name |
(4-Isopropyl)thiophenol |
EINECS | -0 |
| CAS No. | 4946-14-9 | Density | 1 g/cm3 |
| PSA | 38.80000 | LogP | 3.09870 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C9H12S | Boiling Point | 215.1 °C at 760 mmHg |
| Molecular Weight | 152.26 | Flash Point | 86.4 °C |
| Transport Information | UN 2922 8/PG 2 | Appearance | Transparent liquid. |
| Safety | 26-36 | Risk Codes | 20/21/22-34 |
| Molecular Structure |
|
Hazard Symbols |
 C
|
| Synonyms |
Benzenethiol,p-isopropyl- (6CI);p-Cumenethiol (7CI,8CI);4-Isopropylbenzenethiol;4-Isopropylthiophenol;p-Isopropylbenzenethiol;p-Isopropylphenyl mercaptan;p-Isopropylthiophenol; |
Article Data | 8 |
(4-Isopropyl)thiophenol Chemical Properties
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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
(4-Isopropyl)thiophenol Safety Profile
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
(4-Isopropyl)thiophenol Specification
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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