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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Data source

Reference
Reference Type:
other: unpublished calculation
Title:
Calculation of the theoretical environmental distribution of acetophenone using the computer program Mackay Level I.
Author:
Fh-ITEM
Year:
2008

Materials and methods

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

Test material

Constituent 1
Chemical structure
Reference substance name:
Acetophenone
EC Number:
202-708-7
EC Name:
Acetophenone
Cas Number:
98-86-2
Molecular formula:
C8H8O
IUPAC Name:
1-phenylethanone

Study design

Test substance input data:
- Molar mass: 120 g/mol
- Data temperature: 25°C
- Water solubility: 6100 mg/L
- Vapour pressure: 45 Pa
- log Pow: 1.61
- Melting point: 20°C
Environmental properties:
Compartment values

Phase Air Water Soil Sediment Susp. sediment Fish* Aerosol
Volume (m³) 6 x 109 7 x 106 45000 21000 35 7 0.12
Density (kg/m³) 1185 1000 1500 1300 1500 1000 1500
Org. C (g/g) - - 0.02 0.05 0.167 - -
Fish*: 0.05 g/g lipid

Results and discussion

Percent distribution in media

Air (%):
2.9
Water (%):
96
Soil (%):
0.5
Sediment (%):
0.58
Susp. sediment (%):
0
Biota (%):
0

Any other information on results incl. tables

Based on the physical-chemical properties the environmental distribution was calculated using Mackay Level I. According to the calculation water is the main target compartment (96%) and to a minor extent air (2.9%). The other compartments were not relevant (in total: ca. 1%).

Applicant's summary and conclusion

Conclusions:
According to the Mackay Level I calculation water is the main target compartment (96%) for the environmental distribution and to a minor extent air (2.9%).
Executive summary:

Based on the physical-chemical properties the environmental distribution was calculated using Mackay Level I. According to the calculation water is the main target compartment (96%) and to a minor extent air (2.9%). The other compartments were not relevant (in total: ca. 1%). The study is regarded as valid since the calculation was conducted according to the generally accepted method.