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| CAS No.: | 5331-37-3 |
|---|---|
| Name: | 2-(Butylthio)ethanol |
| Molecular Structure: | |
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| Formula: | C6H14OS |
| Molecular Weight: | 134.243 |
| Synonyms: | 2-(Butylthio)ethanol;2-Hydroxyethyl butyl sulfide;Butyl 2-hydroxyethyl sulfide;Butylthioethanol;Kretol;NSC 2279; |
| EINECS: | 226-229-8 |
| Density: | 0.965 g/cm3 |
| Boiling Point: | 218.6 °C at 760 mmHg |
| Flash Point: | 107.1 °C |
| Appearance: | COA |
| PSA: | 45.53000 |
| LogP: | 1.51200 |
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Specification
The CAS register number of Ethanol, 2-(butylthio)- is 5331-37-3. It also can be called as Butyl 2-hydroxyethyl sulfide and the systematic name about this chemical is 2-(butylsulfanyl)ethanol. The molecular formula about this chemical is C6H14OS and the molecular weight is 134.24. This chemical is stable under normal temperature and pressure. If you want to store it, you should keep the container tightly sealed in dry, cool places.
Physical properties about Ethanol, 2-(butylthio)- are: (1)ACD/LogP: 1.68; (2)ACD/LogD (pH 5.5): 1.68; (3)ACD/LogD (pH 7.4): 1.68; (4)ACD/BCF (pH 5.5): 11.16; (5)ACD/BCF (pH 7.4): 11.16; (6)ACD/KOC (pH 5.5): 195.66; (7)ACD/KOC (pH 7.4): 195.66; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 34.53 Å2; (12)Index of Refraction: 1.478; (13)Molar Refractivity: 39.37 cm3; (14)Molar Volume: 139 cm3; (15)Polarizability: 15.61x10-24cm3; (16)Surface Tension: 35 dyne/cm; (17)Density: 0.965 g/cm3; (18)Flash Point: 107.1 °C; (19)Enthalpy of Vaporization: 52.91 kJ/mol; (20)Boiling Point: 218.6 °C at 760 mmHg; (21)Vapour Pressure: 0.0264 mmHg at 25 °C.
Preparation: this chemical can be prepared by 2-mercapto-ethanol and 1-bromo-butane. This reaction will need reagent of ethanolic alkaline solution.
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Uses of Ethanol, 2-(butylthio)-: it can be used to produce 1-(2-chloro-ethylsulfanyl)-butane. This reaction will need reagents of chloroform, SOCl2.
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You can still convert the following datas into molecular structure:
(1)SMILES: OCCSCCCC
(2)InChI: InChI=1/C6H14OS/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3
(3)InChIKey: ARRJJHJQSNPJFV-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C6H14OS/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3
(5)Std. InChIKey: ARRJJHJQSNPJFV-UHFFFAOYSA-N