Registration Dossier
Registration Dossier
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EC number: 230-022-8 | CAS number: 6915-15-7
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- supporting study
- Study period:
- March 21, 2017
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
Data source
Referenceopen allclose all
- Reference Type:
- other: software
- Title:
- Unnamed
- Year:
- 2 012
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
- Model:
- calculation according to Mackay, Level III
- Calculation programme:
- EPI Suite v4.11
- Release year:
- 2 012
- Media:
- other: air - water - soil - sediment
Test material
- Reference substance name:
- Malic acid
- EC Number:
- 230-022-8
- EC Name:
- Malic acid
- Cas Number:
- 6915-15-7
- Molecular formula:
- C4H6O5
- IUPAC Name:
- 2-hydroxybutanedioic acid
Constituent 1
Study design
- Test substance input data:
- SMILES: O=C(O)CC(O)C(=O)O
HLC (estimated, limit value): 1E-12 atm-m3/mole
Log Kow (estimated at pH= 8.0 and 20°C): -6.14
Results and discussion
Percent distribution in media
- Air (%):
- 0
- Water (%):
- 26.4
- Soil (%):
- 73.6
- Sediment (%):
- 0.03
Any other information on results incl. tables
Level III Fugacity Model (Full-Output):
=======================================
Chem Name: malic acid
Molecular Wt: 134.09
Henry's LC: 1e-012 atm-m3/mole (user-entered)
Vapor Press: 2.93e-006 mm Hg (Mpbpwin program)
Liquid VP: 3.28e-005 mm Hg (super-cooled)
Melting Pt: 131 deg C (user-entered)
Log Kow: -6.14 (user-entered)
Soil Koc: 1 (KOCWIN MCI method)
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.000113 46.4 1000
Water 26.4 55.9 1000
Soil 73.6 112 1000
Sediment 0.0344 503 0
Fugacity Reaction Advection Reaction Advection
(atm) (kg/hr) (kg/hr) (percent) (percent)
Air 7.46e-016 0.00629 0.00421 0.00021 0.00014
Water 3.65e-018 1210 97.8 40.4 3.26
Soil 3.49e-016 1690 0 56.3 0
Sediment 2.32e-018 0.176 0.00255 0.00586 8.51e-005
Persistence Time: 124 hr
Reaction Time: 128 hr
Advection Time: 3790 hr
Percent Reacted: 96.7
Percent Advected: 3.26
Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):
Air: 46.37
Water: 55.92
Soil: 111.8
Sediment: 503.3
Biowin estimate: 3.792 (days)
Advection Times (hr):
Air: 100
Water: 1000
Sediment: 50000
Applicant's summary and conclusion
- Conclusions:
- Distribution in environmental compartments has been calculated using a Fugacity model, under the emission scenario of 1000 kg/h into each of air, water and soil compartments, according to Mackay, Level III. Distribution in various environmental compartments is estimated as: Air= 0.0%; Water= 26.4%; Soil= 73.6% and Sediment= 0.03%.
Soil and water were then found to be the major target compartments. - Executive summary:
Distribution in environmental compartments has been calculated using a Fugacity model, under the emission scenario of 1000 kg/h into each of air, water and soil compartments, according to Mackay, Level III. Distribution in various environmental compartments is estimated as: Air= 0.0%; Water= 26.4%; Soil= 73.6% and Sediment= 0.03%.
Soil and water were then found to be the major target compartments.
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