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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

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: migrated from IUCLID 5.6

Data source

Reference
Title:
No information
Author:
Anonymous
Year:
2014
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:
2,4-dihydroxybenzophenone
EC Number:
205-029-4
EC Name:
2,4-dihydroxybenzophenone
Cas Number:
131-56-6
Molecular formula:
C13H10O3
IUPAC Name:
4-benzoylbenzene-1,3-diol

Results and discussion

Percent distribution in media

Air (%):
0.001
Water (%):
16
Soil (%):
83
Sediment (%):
1.01

Any other information on results incl. tables

Level III Fugacity Model (Full-Output):

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

Chem Name : Methanone, (2,4-dihydroxyphenyl)phenyl-

Molecular Wt: 214.22

Henry's LC : 2.65e-011 atm-m3/mole (Henrywin program)

Vapor Press : 1.41e-007 mm Hg (Mpbpwin program)

Liquid VP : 2.02e-006 mm Hg (super-cooled)

Melting Pt : 142 deg C (Mpbpwin program)

Log Kow : 2.96 (Kowwin program)

Soil Koc : 1.91e+003 (KOCWIN MCI method)

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.00066 1.28 1000

Water 16 360 1000

Soil 83 720 1000

Sediment 1.01 3.24e+003 0

Fugacity Reaction Advection Reaction Advection

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

Air 1.23e-014 8.4 0.155 0.28 0.00518

Water 2.33e-016 727 378 24.2 12.6

Soil 2.91e-016 1.88e+003 0 62.7 0

Sediment 1.57e-016 5.08 0.475 0.169 0.0158

Persistence Time: 785 hr

Reaction Time: 899 hr

Advection Time: 6.23e+003 hr

Percent Reacted: 87.4

Percent Advected: 12.6

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

Air: 1.282

Water: 360

Soil: 720

Sediment: 3240

Biowin estimate: 2.838 (weeks )

Advection Times (hr):

Air: 100

Water: 1000

Sediment: 5e+004

Applicant's summary and conclusion