Registration Dossier
Registration Dossier
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EC number: 204-884-0 | CAS number: 128-39-2
Phototransformation in air
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: Calculation method
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: (Q)SAR
- Title:
- AopWin v1.92
- Author:
- Anon
- Year:
- 2 008
- Bibliographic source:
- US Environment Protection Agency
Materials and methods
Test guideline
- Deviations:
- not applicable
- Principles of method if other than guideline:
- Calculation method.
Test material
- Reference substance name:
- 2,6-di-tert-butylphenol
- EC Number:
- 204-884-0
- EC Name:
- 2,6-di-tert-butylphenol
- Cas Number:
- 128-39-2
- Molecular formula:
- C14H22O
- IUPAC Name:
- 2,6-di-tert-butylphenol
Constituent 1
Results and discussion
Dissipation half-life of parent compound
- DT50:
- 0.22 d
- Test condition:
- (Q)SAR: OH Rate Constant = 49.1082 E-12 cm3/molecule-sec
- Transformation products:
- not specified
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- Half-Life = 0.218 Days (12-hr day; 1.5E6 OH/cm3)
- Executive summary:
Output from AopWin Version 1.92:-
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 49.1082 E-12 cm3/molecule-sec
Half-Life = 0.218 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.614 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
0.000124 (Junge-Pankow, Mackay avg)
0.0106 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
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