CAS 15205-66-0 2-(Methylsulfonyl)ethanol (HCID 84834)

Overview

structure given in first source

Names & identifiers

Preferred name: 2-(Methylsulfonyl)ethanol
IUPAC: 2-methylsulfonylethanol
English name: 2-(Methylsulfonyl)ethanol
Molecular formula: C3H8O3S
Molecular weight: 124.16

Names & synonyms

2-(Methylsulfonyl)ethanol15205-66-02-(methanesulfonyl)ethanol5FI8EB2K0LDTXSID60164950RefChem:461151DTXCID5087441239-261-22-Hydroxyethyl methyl sulfone2-MethylsulfonylethanolEthanol, 2-(methylsulfonyl)-2-Methanesulfonylethanol

Show more names

hydroxyethyl2-(methylsulfonyl)ethan-1-olDK5512-MESYLETHANOLhydroxyethylmethylsulfone2-(METHANESULPHONYL)ETHANOL

2-methanesulfonylethan-1-olMFCD000147472-(Methylsulphonyl)ethanol2-(methylsulfonyl) ethanol2-(Methylsulfonyl)ethyl alcohol2-Methanesulfonyl-ethanol2-Hydroxyethylmethyl sulfoneCHEMBL281616

Database identifiers

CAS: 15205-66-0
PubChem CID: 84834
DTXSID: DTXSID60164950
ChEMBL: CHEMBL281616
UNII: 5FI8EB2K0L
EC Number: 239-261-2
Nikkaji: J61.606K

Properties

Computed structural properties

XLogP: -1.1
Topological polar surface area: 62.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 7
Formal charge: 0
Complexity: 118

Physicochemical properties

Melting point: 31 · 31-33 °C(lit.)
Boiling point: 148 · 148-149 °C(lit.)
Density: 1.33 · 1.33
refractive index: 1.478 · 1.478-1.48
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
form: solid
pka: 13.61 · 13.61±0.10(Predicted)
color: White to Almost white
Water Solubility: Soluble in water.
BRN: 1746915 · 1746915
InChI: InChI=1S/C3H8O3S/c1-7(5,6)3-2-4/h4H,2-3H2,1H3
InChIKey: KFTYFTKODBWKOU-UHFFFAOYSA-N
SMILES: C(O)CS(C)(=O)=O
CAS DataBase Reference: 15205 · 15205-66-0(CAS DataBase Reference)
FDA UNII: 5 FI8EB2K0L · 5FI8EB2K0L
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338
PPE: Eyeshields, Gloves
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3
F: 3 · 3-9
HS Code: 29309090 · 29309090
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 1 · Skin Sens. 1

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

Safety data

F: 3-9
PPE: Eyeshields, Gloves
wgk: 3
hs_code: 29309090
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 22-24/25
Storage Class: 10 - Combustible liquids
Hazard statements: H302-H315-H319-H335
Hazard Classifications: Skin Sens. 1
Precautionary statements: P261-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses2-(Methylsulfonyl)ethanol may be used as reagent in the synthesis of phenols from aryl fluorides. It may be used in the preparation of 2-(methylsulfonyl)ethyl N,N-bis(2-chloroethyl)phosphorodiamidate. 2-Hydroxyethyl Methyl Sulfone, is the versatile building block used in the synthesis of more complex sulfur containing compounds. It can be used for the studies of inhibitor and substrate moieties to acetylcholinesterase.

General DescriptionReaction of 2-(methylsulfonyl)ethanol with cotton cellulose yields methylsulfonylethyl substituents in the 2-O- to 6-O-positions of the monosubstituted D-glucopyranosyl unit of cotton cellulose.