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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Environmental fate & pathways

Phototransformation in air

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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: Largely accepted Atkinson model
Justification for type of information:
QSAR prediction

Data source

Reference
Reference Type:
other: software
Title:
AOPWIN v1.92a
Author:
Meylan and Howard / US EPA
Year:
2008

Materials and methods

Principles of method if other than guideline:
The estimation methods used by AOPWIN are based upon the structure-activity relationship (SAR) methods developed by Dr. Roger Atkinson and co-workers (Atkinson, 1985, 1986, 1987, 1991; Atkinson and Carter, 1984; Biermann et al, 1985; Kwok et al, 1992, Kwok and Atkinson, 1995; Kwok et al, 1996). AOPWIN incorporates updated fragment and reaction values as cited in Kwok and Atkinson (1995).  In addition, Syracuse Research Corporation has derived some additional fragment and reaction values from new experimental data.

Test material

Constituent 1
Chemical structure
Reference substance name:
Dibenzylbenzene, ar-methyl derivative
EC Number:
258-649-2
EC Name:
Dibenzylbenzene, ar-methyl derivative
Cas Number:
53585-53-8
Molecular formula:
C21H20
IUPAC Name:
dibenzylbenzene, ar-methyl derivative

Results and discussion

% Degradation
% Degr.:
50
Sampling time:
4.736 h

Applicant's summary and conclusion

Validity criteria fulfilled:
not applicable
Remarks:
not applicable due to QSAR data
Conclusions:
The calculated half-life of dibenzyltoluene was 4.736 hours.
Executive summary:

The atmospheric photo-oxidation rate for dibenzyltoluene was calculated using AOPWIN v1.92a embedded in EPISuite v4.1 (U.S. Environmental Protection Agency EPISuite. Estimation Program Interface (EPI) Suite Version 4.1. Washington, DC). In view of the short half-life of 4.736 hours, photo-oxidation may be an important degradation process for the removal of dibenzyltoluene from the atmosphere.