2-(Benzylthio)ethanol supplier

Name
2-HYDROXYETHYL BENZYL SULFIDE
EINECS 223-405-6
CAS No. 3878-41-9
Article Data31
CAS DataBase
Density 1.12 g/cm³
Solubility
Melting Point
Formula C₉H₁₂OS
Boiling Point 296.1 °C at 760 mmHg
Molecular Weight 168.26
Flash Point 144.3 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Ethanol,2-(benzylthio)- (6CI,7CI,8CI);2-Hydroxyethyl benzylsulfide;NSC 404004;
PSA 45.53000
LogP 1.91210

2-(Benzylthio)ethanol Specification

The Ethanol,2-[(phenylmethyl)thio]-, with CAS registry number 3878-41-9, belongs to the following product category: Alkohols. It has the systematic name of 2-(benzylsulfanyl)ethanol. And the chemical formula of this chemical is C₉H₁₂OS. What's more, its EINECS is 223-405-6.

Physical properties of Ethanol,2-[(phenylmethyl)thio]-: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.9; (4)ACD/LogD (pH 7.4): 1.9; (5)ACD/BCF (pH 5.5): 16.32; (6)ACD/BCF (pH 7.4): 16.32; (7)ACD/KOC (pH 5.5): 256.89; (8)ACD/KOC (pH 7.4): 256.89; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 34.53 Å²; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 49.96 cm³; (15)Molar Volume: 150.2 cm³; (16)Polarizability: 19.8×10^-24cm³; (17)Surface Tension: 45.9 dyne/cm; (18)Enthalpy of Vaporization: 56.59 kJ/mol; (19)Vapour Pressure: 0.000661 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-mercapto-ethanol and chloromethyl-benzene. This reaction will need reagents alkali, alcohol.

Uses of Ethanol,2-[(phenylmethyl)thio]-: it can be used to produce benzyl-(2-chloro-ethyl)-sulfide. This reaction will need reagent PCl₃.

You can still convert the following datas into molecular structure:
(1)SMILES: S(CCO)Cc1ccccc1
(2)InChI: InChI=1/C9H12OS/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
(3)InChIKey: ANMHSIXPUAKNLM-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C9H12OS/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
(5)Std. InChIKey: ANMHSIXPUAKNLM-UHFFFAOYSA-N

Product Name

2-HYDROXYETHYL BENZYL SULFIDE

2-(Benzylthio)ethanol Specification

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