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Diss Factsheets

Administrative data

Endpoint:
distribution modelling
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Scientifically acceptable method

Data source

Reference
Reference Type:
other: Mackay Level I calculation
Title:
Unnamed
Year:
2016
Report date:
2016

Materials and methods

Model:
calculation according to Mackay, Level I
Release year:
2 004
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
2'-hydroxyacetophenone
EC Number:
204-288-0
EC Name:
2'-hydroxyacetophenone
Cas Number:
118-93-4
Molecular formula:
C8H8O2
IUPAC Name:
1-(2-hydroxyphenyl)ethan-1-one
Details on test material:
- Name of test material (as cited in study report): O-Hydroxyacetophenone

Study design

Test substance input data:
- Molar mass: 136.15 g/mol (EPI Suite v4.11)
- Data temperature: 20 °C
- Water solubility: 7571 mg/L (calculated: WSKOW v1.42, EPI Suite v4.11)
- Vapour pressure: 9.36 Pa (calculated: MPBPVP v1.43, EPI Suite v4.11)
- log Pow: 1.92 (measured, Hansch, C. et al., 1995)
- Melting point: 5 °C (PhysProp database, EPI Suite v4.11)
Environmental properties:
Volume Density Org. C Fish lipid
(m³) (kg/m³) (g/g) (g/g)
air 6.0E+09 1.21
water 7.0E+06 1000
soil 45000 1500 0.02
sediment 21000 1300 0.05
susp. part. 35.0 1500 0.167
fish 7.0 1000 0.05
aerosole 0.120 1500

Results and discussion

Percent distribution in media

Air (%):
5.5
Water (%):
93.2
Soil (%):
0.6
Sediment (%):
0.6

Any other information on results incl. tables

Over time, the substance will preferentially distribute into the compartments water (93.2%) and air (5.5%).

However, since the substance will be ionized under environmentally relevant conditions, the distribution into water may still be underestimated.

The data refer to the uncharged molecule.

Applicant's summary and conclusion