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Home> Encyclopedia > Hot Product Listed T   > Tetramethylene sulfone
126-33-0 structure

Tetramethylene sulfone

CAS No.:126-33-0
EINECS(EC#): 204-783-1
Molecular Weight:120.17012
Molecular Formula:C4H8O2S (isomer)
Names and Identifiers
Synonyms

(Cyclo) Tetramethylene Sulfone 2,3,4,5-Tetrahydrothiophene-1,1-dioxide Sulfolane Sulpholane Tetrahydrothiophene S,S-dioxide Tetramethylene sulphone Thioxyclopentane-1,1-dioxide

Inchi
InChI=1/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2
InChkey
HXJUTPCZVOIRIF-UHFFFAOYSA-N
Canonical Smiles
C1CCS(=O)(=O)C1
Properties
Appearance
Clear colourless liquid
Density
1.261
Melting Point
27.4-27.8℃
Boiling Point
285℃
Vapour
0.00479mmHg at 25°C
Refractive Index
1.482-1.485
Flash Point
165℃
Solubility
Completely soluble
Color/Form
White or creamy white, crystalline powder
Stability
Stable. Combustible. Incompatible with strong oxidizing agents.
HS Code
29349990
Storage temp
Store in a cool, dry place. Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Spectral properties
Index of refraction: 1.481 at 30 deg C/D
IR: 8392 (Sadtler Research Laboratories IR Grating Collection)
NMR: 416 (Varian Associates NMR Spectra Catalogue)
MASS: 189 (National Bureau of Standards EPA-NIH Mass Spectra Data Base, NSRDS-NBS-63)
Safety and Handling
Hazard Codes
Xn
Risk Statements
R22
Safety Statements
S25
PackingGroup
Z01
Skin, Eye, and Respiratory Irritations
Liquid irritating to eyes, not irritating to skin.
Transport
250kgs
Fire Fighting Procedures
Water or foam may cause frothing.
Wear goggles and self-contained breathing apparatus. Extinguish with water, foam, dry chemical, or carbon dioxide.
Fire Potential
Combustible when exposed to heat or flame.
Formulations/Preparations
Commercially available as anhydrous sulfolane and as sulfolane containing 3% wt deionized water
Grade: Technical
Sulfolane-W (97% 1,1-tetrahydrothiophenedioxide and 3% water)
Reactivities and Incompatibilities
Nitronium tetrafluoroborate /is potentially explosive/ in sulfolane.
Other Preventative Measures
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
Protective Equipment and Clothing
Liquid irritating to eyes, not irritating to skin.
Octanol/Water Partition Coefficient
log Kow= -0.77
Disposal Methods
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:120.17012g/mol
  • Molecular Formula:C4H8O2S
  • XLogP3-AA:_0.8
  • Exact Mass:120.0245
  • Monoisotopic Mass:120.0245
  • Complexity:128
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:42.5
  • Heavy Atom Count:7
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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