Registration Dossier

Administrative data

Endpoint:
phototransformation in air
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Scientifically acceptable calculation
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: Epiwin calculation
Title:
Unnamed
Year:
2011
Report date:
2011

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:
(2-hydroxyethyl)(3-hydroxypropyl)dimethylammonium chloride
EC Number:
278-860-3
EC Name:
(2-hydroxyethyl)(3-hydroxypropyl)dimethylammonium chloride
Cas Number:
78182-00-0
Molecular formula:
C7H18NO2.Cl
IUPAC Name:
3-hydroxy-N-(2-hydroxyethyl)-N,N-dimethylpropan-1-aminium chloride

Study design

Estimation method (if used):
PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 500000 molecule/cm³
- Degradation rate constant: 0.0000000000336324 cm³/(molecule-sec)
- Temperature for which rate constant was calculated: 25 °C
- Calculated t 1/2 is based on a 24 h day

Results and discussion

Dissipation half-life of parent compound
DT50:
0.477 d

Applicant's summary and conclusion