-
Name
2-HYDROXYETHYL HEXYL SULFIDE
- EINECS 246-282-0
- CAS No. 24475-56-7
- Article Data9
- CAS DataBase
- Density 0.943 g/cm3
- Solubility
- Melting Point
- Formula C8H18OS
- Boiling Point 255.5 °C at 760 mmHg
- Molecular Weight 162.296
- Flash Point 124.8 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2-(Hexylthio)ethanol;Hexyl 2-hydroxyethyl sulfide;NSC 84220;
- PSA 45.53000
- LogP 2.29220
Ethanol, 2-(hexylthio)- Specification
The Ethanol, 2-(hexylthio)-, with CAS registry number 24475-56-7, has the systematic name of 2-(hexylsulfanyl)ethanol. Besides this, it is also called B-Hydroxyethyl N-hexyl sulfide. And the chemical formula of this chemical is C8H18OS. What's more, its EINECS is 246-282-0.
Physical properties of Ethanol, 2-(hexylthio)-: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.74; (4)ACD/LogD (pH 7.4): 2.74; (5)ACD/BCF (pH 5.5): 71.66; (6)ACD/BCF (pH 7.4): 71.66; (7)ACD/KOC (pH 5.5): 740.66; (8)ACD/KOC (pH 7.4): 740.66; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 34.53 Å2; (13)Index of Refraction: 1.477; (14)Molar Refractivity: 48.64 cm3; (15)Molar Volume: 172 cm3; (16)Polarizability: 19.28×10-24cm3; (17)Surface Tension: 34.7 dyne/cm; (18)Density: 0.943 g/cm3; (19)Flash Point: 124.8 °C; (20)Enthalpy of Vaporization: 57.26 kJ/mol; (21)Boiling Point: 255.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00247 mmHg at 25°C.
Uses of Ethanol, 2-(hexylthio)-: it can be used to produce 2-(hexane-1-sulfinyl)-ethanol. This reaction will need reagents NaOCl, TEMPO, KBr, Bu4NCl, NaHCO3 and solvents CH2Cl2, H2O.
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You can still convert the following datas into molecular structure:
(1)SMILES: OCCSCCCCCC
(2)InChI: InChI=1/C8H18OS/c1-2-3-4-5-7-10-8-6-9/h9H,2-8H2,1H3
(3)InChIKey: ZMGLDPZVDZFNLE-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C8H18OS/c1-2-3-4-5-7-10-8-6-9/h9H,2-8H2,1H3
(5)Std. InChIKey: ZMGLDPZVDZFNLE-UHFFFAOYSA-N
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