-
Name
2-Ethylbenzenethiol
- EINECS 224-811-6
- CAS No. 4500-58-7
- Article Data30
- CAS DataBase
- Density 1.024 g/cm3
- Solubility
- Melting Point -30°C (estimate)
- Formula C8H10S
- Boiling Point 210.7 °C at 760 mmHg
- Molecular Weight 138.233
- Flash Point 80.6 °C
- Transport Information
- Appearance clear light yellow liquid
- Safety S26;S37/39
- Risk Codes R36/37/38
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms Benzenethiol,o-ethyl- (6CI,7CI,8CI);2-Ethylbenzothiol;o-Ethylbenzenethiol;
- PSA 38.80000
- LogP 2.53770
2-Ethylbenzenethiol Chemical Properties
Molecular Structure of 2-Ethylbenzenethiol (CAS NO.4500-58-7):
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IUPAC Name: 2-ethylbenzenethiol
Empirical Formula: C8H10S
Molecular Weight: 138.23
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 25.3 Å2
Index of Refraction: 1.565
Molar Refractivity: 43.97 cm3
Molar Volume: 134.8 cm3
Surface Tension: 36.8 dyne/cm
Density: 1.024 g/cm3
Flash Point: 80.6 °C
Enthalpy of Vaporization: 42.87 kJ/mol
Boiling Point: 210.7 °C at 760 mmHg
Vapour Pressure: 0.275 mmHg at 25°C
Sensitive: Air Sensitive
BRN: 2553288
SMILES: Sc1ccccc1CC
InChI: InChI=1/C8H10S/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3
EINECS: 224-811-6
Product Categories: Phenol&Thiophenol&Mercaptan; Phenoles and thiophenoles; thiol Flavor
2-Ethylbenzenethiol Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37/39:Wear suitable gloves and eye/face protection.
RIDADR: 2810
WGK Germany: 3
TSCA: T
HazardClass: 6.1
PackingGroup: III
2-Ethylbenzenethiol Specification
2-Ethylbenzenethiol , with CAS number of 4500-58-7, can be called 2-Ethylphenylmercaptan ; Benzenethiol, O-ethyl- ; benzenethiol, 2-ethyl- . It is a clear light yellow liquid
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