Registration Dossier
Registration Dossier
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EC number: 201-622-7 | CAS number: 85-68-7
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Study period:
- Not applicable
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: QSAR calculation, use of an accepted calculation procedure acceptable with restrictions
Data source
Reference
- Reference Type:
- other: Computer Model
- Title:
- EPISuite v4.0
- Author:
- USEPA
- Year:
- 2 008
- Bibliographic source:
- USEPA OPPT Risk Assessment Division
Materials and methods
- Model:
- calculation according to Mackay, Level III
- Calculation programme:
- Episuite v.4.0
- Release year:
- 2 008
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Reference substance name:
- Benzyl butyl phthalate
- EC Number:
- 201-622-7
- EC Name:
- Benzyl butyl phthalate
- Cas Number:
- 85-68-7
- Molecular formula:
- C19H20O4
- IUPAC Name:
- 1-benzyl 2-butyl benzene-1,2-dicarboxylate
- Reference substance name:
- BBP
- IUPAC Name:
- BBP
- Details on test material:
- Not applicable
Constituent 1
Constituent 2
Study design
- Test substance input data:
- Melting Point -35°C Boiling Point 370°C, Water Solubility 2.69mg/L, Vapour Pressure 0.0000075 mmHg, Log Kow 4.84
- Environmental properties:
- Not applicable
Results and discussion
Percent distribution in media
- Air (%):
- 1.4
- Water (%):
- 21.6
- Soil (%):
- 72.3
- Sediment (%):
- 4.67
- Other distribution results:
- see information on results incl. tables
Any other information on results incl. tables
Level III Fugacity Model (Full-Output):
Chem Name : 1,2-Benzenedicarboxylic acid, butyl phenylmethyl ester
Molecular Wt: 312.37
Henry's LC : 1.26e-006 atm-m3/mole (Henry database)
Vapor Press : 7.5e-006 mm Hg (user-entered)
Log Kow : 4.84 (user-entered)
Soil Koc : 7.16e+003 (KOCWIN MCI method)
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.4 23.2 1000
Water 21.6 360 1000
Soil 72.3 720 1000
Sediment 4.67 3.24e+003 0
Fugacity Reaction Advection Reaction Advection
(atm) (kg/hr) (kg/hr) (percent) (percent)
Air 1.55e-011 660 221 22 7.38
Water 6.81e-012 659 342 22 11.4
Soil 1.49e-012 1.1e+003 0 36.7 0
Sediment 4.31e-012 15.8 1.48 0.526 0.0492
Persistence Time: 527 hr
Reaction Time: 649 hr
Advection Time: 2.8e+003 hr
Percent Reacted: 81.2
Percent Advected: 18.8
Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):
Air: 23.23
Water: 360
Soil: 720
Sediment: 3240
Biowin estimate: 3.110 (weeks )
Advection Times (hr):
Air: 100
Water: 1000
Sediment: 5e+004
Applicant's summary and conclusion
- Conclusions:
- Results from the Level III fugacity model are:
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.4 23.2 1000
Water 21.6 360 1000
Soil 72.3 720 1000
Sediment 4.67 3.24e+003 0
Persistence Time: 527 hr - Executive summary:
EpiSuite v.4.0 has provided Level III fugacity model showing distribution of the substance. This method is considered adquate for assessment. Distribution of the substance is Air 1.4%, Water 21.6%, Soil 72.3%, Sediment 4.67%, with half life (hr) of air 23.2, water 360, soil 720 and sediment 3.24e+003.
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