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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
phototransformation in air
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
7 July 1993 - 28 September 1994
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
1995
Report date:
1995

Materials and methods

Test guideline
Qualifier:
no guideline followed
Version / remarks:
QSAR developed by Atkinson
Principles of method if other than guideline:
Estimates of the rate constant and half-life for the atmospheric gas-phase reaction between the test substance and hydroxyl radicals were obtained using the structure-activity relationships developed by Atkinson.
GLP compliance:
yes

Test material

Constituent 1
Chemical structure
Reference substance name:
Simazine
EC Number:
204-535-2
EC Name:
Simazine
Cas Number:
122-34-9
Molecular formula:
C7H12ClN5
IUPAC Name:
6-chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine
Test material form:
solid: particulate/powder

Study design

Estimation method (if used):
PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 1.5E+06 cm-3
- Degradation rate constant: 137E-12 cm3/molecule-sec
- Computer programme: 'The Atmospheric Oxidation Program'

Results and discussion

Dissipation half-life of parent compound
Key result
DT50:
56 min
Test condition:
Estimated value
Degradation rate constant
Key result
Reaction with:
OH radicals
Rate constant:
0 cm³ molecule-1 s-1
Remarks on result:
other: Estimated value

Applicant's summary and conclusion

Validity criteria fulfilled:
not applicable
Conclusions:
Simazine has been estimated to have a hydroxyl radical rate constant of 1.37E-10 cm3/ molecule-sec and a half-life of 56 minutes.