Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
distribution modelling
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction from Episuite 4.1

Data source

Reference
Title:
No information
Author:
Anonymous
Year:
2013
Bibliographic source:
Episuite data (Epiweb 4.1)

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
Epiweb 4.1
Release year:
2 012
Media:
other: air-water-soil-sediment

Test material

Constituent 1
Chemical structure
Reference substance name:
2-methylresorcinol
EC Number:
210-155-8
EC Name:
2-methylresorcinol
Cas Number:
608-25-3
Molecular formula:
C7H8O2
IUPAC Name:
2-methylbenzene-1,3-diol

Results and discussion

Percent distribution in media

Air (%):
0.002
Water (%):
17
Soil (%):
82.7
Sediment (%):
0.279

Any other information on results incl. tables

Level III Fugacity Model (Full-Output):

=======================================

Chem Name : 1,3-Benzenediol, 2-methyl-

Molecular Wt: 124.14

Henry's LC : 8.68e-011 atm-m3/mole (Henrywin program)

Vapor Press : 0.000253 mm Hg (Mpbpwin program)

Liquid VP : 0.000556 mm Hg (super-cooled)

Melting Pt : 59.6 deg C (Mpbpwin program)

Log Kow : 1.58 (Kowwin program)

Soil Koc : 402 (KOCWIN MCI method)

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.00151 1.28 1000

Water 17 360 1000

Soil 82.7 720 1000

Sediment 0.279 3.24e+003 0

Fugacity Reaction Advection Reaction Advection

(atm) (kg/hr) (kg/hr) (percent) (percent)

Air 6.86e-014 18.9 0.349 0.629 0.0116

Water 1.37e-015 753 391 25.1 13

Soil 7.45e-015 1.83e+003 0 61.2 0

Sediment 1.06e-015 1.38 0.129 0.0459 0.00429

Persistence Time: 768 hr

Reaction Time: 883 hr

Advection Time: 5.88e+003 hr

Percent Reacted: 86.9

Percent Advected: 13.1

Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):

Air: 1.281

Water: 360

Soil: 720

Sediment: 3240

Biowin estimate: 2.963 (weeks )

Advection Times (hr):

Air: 100

Water: 1000

Sediment: 5e+004

Applicant's summary and conclusion