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Environmental fate & pathways

Distribution modelling

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Administrative data

Endpoint:
distribution modelling
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Calculated with scientifically accepted method
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: unpublished calculation
Title:
Unnamed
Year:
2008
Report date:
2008

Materials and methods

Model:
calculation according to Mackay, Level I
Calculation programme:
Mackay Level I V 3.00 Model
Release year:
2 004
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
Methyl acrylate
EC Number:
202-500-6
EC Name:
Methyl acrylate
Cas Number:
96-33-3
Molecular formula:
C4H6O2
IUPAC Name:
methyl prop-2-enoate
Details on test material:
- Name of test material (as cited in study report): Methyl acrylate

Study design

Test substance input data:
- Molar mass: 86.09 g/mol [1]
- Data temperature: 20 °C
- Water solubility: 60000 g/m³ [2]
- Vapour pressure: 9000 Pa [3]
- log Pow: 0.739 [4]
- Melting point: -20 °C [5]

Sources:
[1]: BASF SE (2008). Department of Product Safety, data assessment, unpublished calculation, SRC EPIWIN v3.12, 26 Feb 2008.
[2]: American Conference of Governmental Industrial Hygienists: Documentation of the Threshold Limit Values and Biological Exposure Indices, 6th ed., Vol. 2, pp 931-934, Cincinnati, 1992
[3]: BASF AG (1983) Department of Analytics ZAM/P - M 325, Dampfdruck von Methylacrylot. Report No. BRU 83. 68, . 29 Apr 1983
[4]: BASF AG (1988) Department of Analytics, Determination of the octanol-water partition Coefficient, J.Nr. 129304/02, 23 Aug 1988.
[5]: BASF AG (2008) expert judgement.

Results and discussion

Percent distribution in media

Air (%):
81.9
Water (%):
18
Soil (%):
0.01
Sediment (%):
0.01
Susp. sediment (%):
0
Biota (%):
0
Aerosol (%):
0

Applicant's summary and conclusion