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β-Hydroxyethyl sulfone

β-Hydroxyethyl sulfone structure

CAS No:
2580-77-0
Formula:
C4H10O4S
Chemical Name:
β-Hydroxyethyl sulfone
Synonyms:
Ethanol,2,2′-sulfonylbis-;Ethanol,2,2′-sulfonyldi-;2,2′-Sulfonylbis[ethanol];Bis(2-hydroxyethyl) sulfone;β,β′-Dihydroxyethyl sulfone;Bis(β-hydroxyethyl) sulfone;β-Hydroxyethyl sulfone;2,2′-Sulfonyldi[ethanol];BHES 50;Thiodiglycol sulfone;NSC 32716;NSC 50845;2-(2-Hydroxyethylsulfonyl)ethanol;2-(2-Hydroxyethanesulfonyl)ethan-1-ol
Categories:
Chemical Reagents > Organic Reagents

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β-Hydroxyethyl sulfone Basic Attributes

Molecular Weight：

154.18

Exact Mass：

154.18

EC Number：

219-948-3

UNII：

8F8C9TE3KA

NSC Number：

50845|32716

DSSTox ID：

DTXSID2062533

HScode：

2905590090

Characteristics

PSA：

XLogP3：

-1.8

Density：

1.4±0.1 g/cm3

Melting Point：

58.1 °C

Boiling Point：

432℃

Flash Point：

215℃

Refractive Index：

1.499

Vapor Pressure：

23.5 mm Hg ( 20 °C)

Vapor Density：

5.5 (vs air)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

36/37

Marks：

Precautionary statement(s)：

P261-P342 + P311

Hazard Statements：

H334

GHS Classification：

|Danger|H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]|P261, P285, P304+P341, P342+P311, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

2,2'-sulfinylbisethanol

β-Hydroxyethyl sulfone Use and Manufacturing

Methods of Manufacturing

14.9 kg of a 62.6% SBE aqueous solution containing 9.3 kg of SBE was produced and concentrated under reduced pressure at 100 C. or less.25.9 kg of acetonitrile and 20.1 kg of pyridine were added to the concentrated residue and stirred. At 0 to 20 C., 16.6 kg of methanesulfonyl chloride was added dropwise, and the mixture was stirred at 0 to 20 C. for 30 minutes.46.5 kg of water was added dropwise at -2 to 5 C.The precipitated crystals were collected by filtration and washed with 18.6 kg of cold water. By drying the obtained wet crystals under reduced pressure at 60 C. or less, 15.3 kg of SBEM (yield 81.9%) was obtained.

Manufacturing Info：

Ethanol, 2,2'-sulfonylbis-: ACTIVE

Computed Properties

Molecular Weight:154.19
XLogP3:-1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:154.02997997
Monoisotopic Mass:154.02997997
Topological Polar Surface Area:83
Heavy Atom Count:9
Complexity:130
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes