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22381-54-0

Basic Information
CAS No.: 22381-54-0
Name: 2-[(4-Methylphenyl)sulfonyl]ethanol
Article Data: 15
Molecular Structure:
Molecular Structure of 22381-54-0 (2-[(4-Methylphenyl)sulfonyl]ethanol)
Formula: C9H12O3S
Molecular Weight: 200.258
Synonyms: Ethanol,2-(p-tolylsulfonyl)- (6CI,8CI);2-(4-Methylphenylsulfonyl)ethanol;2-(4-Toluenesulfonyl)ethanol;2-(p-Tolylsulfonyl)ethanol;4-Methylphenyl2-hydroxyethyl sulfone;NSC 70003;
EINECS: -0
Density: 1.24 g/cm3
Melting Point: 52-57 °C
Boiling Point: 395.591 °C at 760 mmHg
Flash Point: 193.047 °C
Solubility: Slightly soluble in water.
Appearance: White to off-white adhering crystals
Hazard Symbols: Xn
Risk Codes: 22
Safety: 24/25
PSA: 62.75000
LogP: 1.84180
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Specification

The cas register number of 2-[(4-Methylphenyl)sulfonyl]ethanol is 22381-54-0. It also can be called as 2-Hydroxyethyl 4-methylphenyl sulfone and the IUPAC Name about this chemical is 2-(4-methylphenyl)sulfonylethanol. It belongs to the following product categories, such as Organic Building Blocks, Sulfur Compounds, Tosylates and so on. When you are using it, please avoid contact with skin and eyes.

Physical properties about 2-[(4-Methylphenyl)sulfonyl]ethanol are: (1)ACD/LogP: 0.61; (2)ACD/LogD (pH 5.5): 0.61; (3)ACD/LogD (pH 7.4): 0.61; (4)ACD/BCF (pH 5.5): 1.72; (5)ACD/BCF (pH 7.4): 1.72; (6)ACD/KOC (pH 5.5): 51.38; (7)ACD/KOC (pH 7.4): 51.38; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 51.75Å2; (12)Index of Refraction: 1.544; (13)Molar Refractivity: 50.98 cm3; (14)Molar Volume: 161.4 cm3; (15)Polarizability: 20.21x10-24cm3; (16)Surface Tension: 45.1 dyne/cm; (17)Enthalpy of Vaporization: 68.11 kJ/mol; (18)Vapour Pressure: 5.73E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by oxirane. This reaction will need reagent montmorillonte clay and solvent H2O, benzene, acetone. The reaction time is 6 hour(s) at Ambient temperature. The yield is about 78%.

Uses of 2-[(4-Methylphenyl)sulfonyl]ethanol: it can be used to produce p-tolyl-vinyl sulfone at Heating. This reaction will need reagent Et3N and solvent CH2Cl2 with reaction time of 24 hour(s). The yield is about 52%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)CCO
(2)InChI: InChI=1S/C9H12O3S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-5,10H,6-7H2,1H3
(3)InChIKey: QJFIXBNLKARINT-UHFFFAOYSA-N