Methanesulphonyl chloride

Additional information on environmental fate and behaviour

Administrative data

Endpoint:

additional information on environmental fate and behaviour

Type of information:

experimental study

Adequacy of study:

key study

Study period:

1995

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: GLP study with dated and signed quality assurance inspection statement included.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

1995

Report date:

1955

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

other: calculation based on the structure/activity relationships developed by Dr. Roger Atkins and co-workers.

Deviations:

not specified

Principles of method if other than guideline:

BACKGROUNT TO THE TEST:
The Atkinson method is available in the form of a computer program ‘The Atmospheric Oxidation Program’ available from:
Syracuse Research Corporation
Merrill Lane
Syracuse
New York 13210
USA
The only data required for the program to estimate a rate constant is the chemical structure of the compound. The chemical structure is entered into the program using SMILES (Simplified Molecular Input Line Entry system) notation.
The Atmospheric Oxidation Program estimates the rate constant for the atmospheric, gas-phase reaction between photochemically produced hydroxyl radicals and organic chemicals. It also estimates the rate constant for the gas-phase reaction between ozone and olefinic/acetylenic compounds. The rate constants estimated by the program are then used to calculate atmospheric half-lives for the organic compound based upon average atmospheric concentrations of hydroxyl radicals and ozone.
The Atmospheric Oxidation Program is supplied with a table containing experimental and calculated hydroxyl radical rate constants for 479 chemicals. Each time the program is used to estimate a rate constant for a new substance, a reference chemical is selected from this table and used to show the program is functioning correctly. The reference is selected to be as close in structure as possible to the substance under test. In cases where the test substance is a complex multi-functional molecule the use of several reference substances may be required to cover all functionalities.

GLP compliance:

yes

Test material

Test material information

Constituent 1

Reference substance name:

Methanesulphonyl chloride

EC Number:

204-706-1

EC Name:

Methanesulphonyl chloride

Cas Number:

124-63-0

Molecular formula:

CH3ClO2S

IUPAC Name:

methanesulfonyl chloride

Details on test material:

Methanesulfonyl chloride
batch n. 15/054
Expiry: Responsibility of the Sponsor
Purity: 99.6%
Appaerance: clear pale yellow liquid
Storage conditions: dark at room temperature
Chemical formula: CH3SO2Cl

Applicant's summary and conclusion

Conclusions:

MSC has been estimated to have a hydroxyl radical rate constant of 1.30 x 10^-12 cm3/molecule-sec and a half-life of 99 hours.