Product Name

  • Name

    4-(Methylsulfonyl)benzyl alcohol

  • EINECS
  • CAS No. 22821-77-8
  • Article Data28
  • CAS DataBase
  • Density 1.284g/cm3
  • Solubility
  • Melting Point 82-84°C
  • Formula C8H10O3S
  • Boiling Point 391.9 °C at 760 mmHg
  • Molecular Weight 186.232
  • Flash Point 190.8 °C
  • Transport Information
  • Appearance
  • Safety 26-36/37/39
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 22821-77-8 (4-(Methylsulfonyl)benzyl alcohol)
  • Hazard Symbols IrritantXi
  • Synonyms Benzylalcohol, p-(methylsulfonyl)- (6CI,7CI,8CI);4-(Hydroxymethyl)phenyl methylsulfone;4-(Methylsulfonyl)benzenemethanol;4-(Methylsulfonyl)benzyl alcohol;[4-(Methylsulfonyl)phenyl]methanol;p-(Methylsulfonyl)benzyl alcohol;
  • PSA 62.75000
  • LogP 1.66320

4-(Methylsulfonyl)benzyl alcohol Specification

The Benzenemethanol,4-(methylsulfonyl)-, with CAS registry number 22821-77-8, has the systematic name of [4-(methylsulfonyl)phenyl]methanol. Besides this, it is also called 4-(Methylsulfonyl)benzyl alcohol. And the chemical formula of this chemical is C8H10O3S.

Physical properties of Benzenemethanol,4-(methylsulfonyl)-: (1)ACD/LogP: -0.68; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 51.75 Å2; (7)Index of Refraction: 1.552; (8)Molar Refractivity: 46.35 cm3; (9)Molar Volume: 145 cm3; (10)Polarizability: 18.37×10-24cm3; (11)Surface Tension: 46.4 dyne/cm; (12)Density: 1.284 g/cm3; (13)Flash Point: 190.8 °C; (14)Enthalpy of Vaporization: 67.66 kJ/mol; (15)Boiling Point: 391.9 °C at 760 mmHg; (16)Vapour Pressure: 7.62E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzenemethanol,4-(methylsulfonyl)- 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: O=S(=O)(c1ccc(cc1)CO)C
(2)InChI: InChI=1/C8H10O3S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3
(3)InChIKey: LUECCFBGAJOLOX-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C8H10O3S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3
(5)Std. InChIKey: LUECCFBGAJOLOX-UHFFFAOYSA-N

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