Registration Dossier

Environmental fate & pathways

Phototransformation in air

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Administrative data

Endpoint:
phototransformation in air
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
other information
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method.

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2010
Report date:
2010

Materials and methods

Principles of method if other than guideline:
calculation by EpiSuite v4.00, AopWin v1.92
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
Benzothiazole
EC Number:
202-396-2
EC Name:
Benzothiazole
Cas Number:
95-16-9
Molecular formula:
C7H5NS
IUPAC Name:
benzothiazole
Details on test material:
- Name of test material (as cited in study report): Benzothiazole
SMILES: c1ccc2ncsc2c1
CHEM: Benzothiazole
MOL FOR: C7 H5 N1 S1
MOL WT: 135.18

Study design

Estimation method (if used):
PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 0.5E6 OH/cm3
- OVERALL OH Rate Constant: 7.0000 E-12 cm3/molecule-sec
- Temperature for which rate constant was calculated: 25°C
- Timeframe: 24-h day
- Computer programme: EpiSuite v4.00, AopWin v1.92

Results and discussion

Dissipation half-life of parent compound
DT50:
2.29 d
Test condition:
Hydroxyl Radicals Reaction (25 deg C) (24-hr day; 0.5E6 OH/cm3)

Applicant's summary and conclusion