Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
other information
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Acceptable calculation method

Data source

Reference
Reference Type:
other: Mackay Level 1 calculation report
Title:
Unnamed
Year:
2008

Materials and methods

Model:
calculation according to Mackay, Level I
Calculation programme:
Mackay LEVEL I
Release year:
2 004

Test material

Constituent 1
Chemical structure
Reference substance name:
(2R)-2-(2-chlorophenyl)-2-hydroxyethanoic acid
EC Number:
444-040-0
EC Name:
(2R)-2-(2-chlorophenyl)-2-hydroxyethanoic acid
Cas Number:
52950-18-2
Molecular formula:
Hill formula: C8H7ClO3 CAS formula: C8H7CLO3
IUPAC Name:
(2R)-2-(2-chlorophenyl)-2-hydroxyacetic acid

Study design

Test substance input data:
- Molar Mass: 186,6 g/mol
- Data Temperature 25 °C 298,15 K
- Water Solubility: 67900 g/m³ 364 mol/m³
- Vapour Pressure: 0,350 Pa
- Melting Point: 122 °C 395,15 K
- Log Kow: 1,51
Environmental properties:
Model parameters:

Volume Density org. C fish lipid
[m3] [kg/m3] [g/g] [g/g]
air 6.00E+09 1.185 - -
water 7.00E+06 1000 - -
soil 45000 1500 0.02 -
sediment 21000 1300 0.05 -
susp. sed. 35 1500 0.167 -
fish 7 1000 - 0.05
aerosol 0.12 1500 - -

Results and discussion

Percent distribution in media

Air (%):
0.03
Water (%):
99.5
Soil (%):
0.25
Sediment (%):
0.26
Susp. sediment (%):
0
Biota (%):
0
Aerosol (%):
0

Applicant's summary and conclusion