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| CAS No.: | 622-38-8 |
|---|---|
| Name: | ETHYL PHENYL SULFIDE |
| Article Data: | 196 |
| Molecular Structure: | |
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| Formula: | C8H10S |
| Molecular Weight: | 138.233 |
| Synonyms: | Sulfide,ethyl phenyl (6CI,8CI);(Ethylthio)benzene;(Phenylthio)ethane;Ethyl phenylsulfide;NSC 75124;Phenyl ethyl sulfide;Thiophenetole; |
| EINECS: | 210-731-9 |
| Density: | 1.021g/cm3 |
| Melting Point: | -35.21 °C |
| Boiling Point: | 202.9 °C at 760 mmHg |
| Flash Point: | 73.9 °C |
| Appearance: | clear colorless to light yellow liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 25.30000 |
| LogP: | 2.79860 |
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Specification
The Benzene, (ethylthio)-, with CAS registry number 622-38-8, has the systematic name of (ethylsulfanyl)benzene. This chemical is a kind of clear colorless to light yellow liquid. And the chemical formula of this chemical is C8H10S. What's more, its EINECS is 210-731-9.
Physical properties of Benzene, (ethylthio)-: (1)ACD/LogP: 3.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.24; (4)ACD/LogD (pH 7.4): 3.24; (5)ACD/BCF (pH 5.5): 169.48; (6)ACD/BCF (pH 7.4): 169.48; (7)ACD/KOC (pH 5.5): 1371.54; (8)ACD/KOC (pH 7.4): 1371.54; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 25.3 Å2; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 44.02 cm3; (15)Molar Volume: 136.7 cm3; (16)Polarizability: 17.45×10-24cm3; (17)Surface Tension: 36.4 dyne/cm; (18)Density: 1.01 g/cm3; (19)Flash Point: 73.9 °C; (20)Enthalpy of Vaporization: 42.12 kJ/mol; (21)Boiling Point: 202.9 °C at 760 mmHg; (22)Vapour Pressure: 0.406 mmHg at 25°C.
Preparation: this chemical can be prepared by ethanol and benzenethiol. This reaction will need reagent aluminium oxide. The reaction temperature is 350 ℃.
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Uses of Benzene, (ethylthio)-: it can be used to produce ethanesulfinyl-benzene. This reaction will need reagent NaBrO3 and solvent Mg(HSO4)2. The reaction time is 1.5 hour(s). The yield is about 88%.
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When you are using this chemical, please be cautious about it as the following:
The Benzene, (ethylthio)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: S(c1ccccc1)CC
(2)InChI: InChI=1/C8H10S/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3
(3)InChIKey: AEHWKBXBXYNPCX-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C8H10S/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3
(5)Std. InChIKey: AEHWKBXBXYNPCX-UHFFFAOYSA-N