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Diss Factsheets

Administrative data

Endpoint:
phototransformation in air
Type of information:
(Q)SAR
Adequacy of study:
other information
Study period:
2008
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification

Data source

Reference
Reference Type:
other: EPIWin calculation
Title:
Unnamed
Year:
2008
Report date:
2008

Materials and methods

Principles of method if other than guideline:
SRC AOP v1.92
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
3,5,5-trimethylhexanoic acid
EC Number:
221-975-0
EC Name:
3,5,5-trimethylhexanoic acid
Cas Number:
3302-10-1
Molecular formula:
C9H18O2
IUPAC Name:
3,5,5-trimethylhexanoic acid

Study design

Estimation method (if used):
PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 500000 molecules / cm³
- Degradation rate constant: 6.3988 E-12 cm³/molecule*sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: SRC AOP v1.92

Results and discussion

Dissipation half-life of parent compound
DT50:
60.17 h

Applicant's summary and conclusion

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