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Administrative data

Endpoint:
distribution modelling
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Calculated value.
Justification for type of information:
Reliable QSAR model used for prediction of distribution

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2001
Report date:
2001

Materials and methods

Model:
calculation according to Mackay, Level III

Test material

Constituent 1
Chemical structure
Reference substance name:
4-(α,α-dimethylbenzyl)phenol
EC Number:
209-968-0
EC Name:
4-(α,α-dimethylbenzyl)phenol
Cas Number:
599-64-4
Molecular formula:
C15H16O
IUPAC Name:
4-(α,α-dimethylbenzyl)phenol
Constituent 2
Reference substance name:
290-968-0
IUPAC Name:
290-968-0

Study design

Test substance input data:
Default values were assumed for environmental compartment descriptions, dimensions, and properties, advective and dispersive properties. Chemical-specific input parameters were: melting point averaging 75 degrees C, vapor pressure of 0.000169 Pa, and aqueous solubility of 18 mg/L (22 degrees C). Using models, additional parameters were estimated. They include a log Kow value of 4.12, an atmospheric half-life of 5.74 hours, water and soil biodegradation half-lives of 900 hours, and a sediment half-life of 3600 hours. These values were all used in the distribution modeling.

Results and discussion

Percent distribution in media

Air (%):
0.17
Water (%):
23.1
Soil (%):
72.6
Sediment (%):
4.15

Applicant's summary and conclusion

Conclusions:
The percent distribution in media were as follows: Air - 0.17%; Water - 23.1%; Soil - 72.6%; and Sediment - 4.15%.