2,6-di-tert-butyl-p-cresol

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:

results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Data source

Reference

Reference Type:

other: (Q)SAR calculation

Title:

Unnamed

Year:

2015

Report date:

2015

Materials and methods

Model:

calculation according to Mackay, Level III

Calculation programme:

EPI Suite v4.11 (US EPA, 2012): Level III Fugacity Model

Release year:

2 012

Media:

other: air, water, soil and sediment

Test material

Test material information

Constituent 1

Reference substance name:

2,6-di-tert-butyl-p-cresol

EC Number:

204-881-4

EC Name:

2,6-di-tert-butyl-p-cresol

Cas Number:

128-37-0

Molecular formula:

C15H24O

IUPAC Name:

2,6-di-tert-butyl-4-methylphenol

Study design

Test substance input data:

Molecular Wt: 220.36
Henry's LC : 0.00315 atm-m3/mole (calc VP/Wsol)
Vapor Press : 0.00825 mm Hg (1.1 Pa at 20 °C, meas.; Bayer Ag, 1996)
Melting Pt : 69.8 deg C (meas.; Chang & Maurey, 1985)
Log Kow : 5.1 (meas., 20 °C; Shell, 1983)
Soil Koc : 1.48e+004 (KOCWIN MCI method)

Half-lives are required for air, soil, sediment and water: calculated; see table below ("Any other information on materials and methods incl. tables")
Emission values: default values; see table below ("Any other information on materials and methods incl. tables")
Advection values: default values; see table below ("Any other information on materials and methods incl. tables")

Results and discussion

Percent distribution in media

Air (%):

1.33

Water (%):

8.53

Soil (%):

82.9

Sediment (%):

7.23

Applicant's summary and conclusion

Conclusions:

According to the results of the Mackay Level III model (EPI Suite v4.11), BHT will mainly distribute into the compartments soil (82.9%), water (8.5%), sediment (7.2%) and air (1.3%).

Executive summary:

The environmental distribution of BHT was estimated using the Level III Fugacity model of EPI Suite v4.11. Besides the physico-chemical properties of BHT, the model also considers the releases to the different compartments, the degradability as well as advection values characterising the exchange between the compartments. Based on the model results, BHT will mainly distribute into the compartments soil (82.9%), water (8.5%), sediment (7.2%) and air (1.3%).