4-(α,α-dimethylbenzyl)phenol

Distribution modelling

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

Test material information

Constituent 1

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%.