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Registration Dossier
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EC number: 200-493-4 | CAS number: 60-93-5
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
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Value is predicted from model. Thus, it provides an approximation compared to experimental measure.
Data source
Reference
- Reference Type:
- other: unpublished calculation
- Title:
- Unnamed
- Year:
- 2 013
- Report date:
- 2013
Materials and methods
- Model:
- calculation according to Mackay, Level III
- Calculation programme:
- EPI Suite v4.11
- Release year:
- 2 013
- Media:
- other: air- water- soil- sediment
Test material
- Reference substance name:
- Quinine dihydrochloride
- EC Number:
- 200-493-4
- EC Name:
- Quinine dihydrochloride
- Cas Number:
- 60-93-5
- Molecular formula:
- C20H24N2O2.2ClH
- IUPAC Name:
- 6'-methoxycinchonan-9-ol dihydrochloride
- Test material form:
- not specified
- Details on test material:
- Calculation is based on the structure and / or properties of quinine dihydrochloride.
Constituent 1
Results and discussion
Percent distribution in media
- Air (%):
- 0
- Water (%):
- 8.85
- Soil (%):
- 76.8
- Sediment (%):
- 14.3
Any other information on results incl. tables
| air | water | soil | sediment | |
mass amount (%) |
4.09E-008 | 8.85 | 76.8 | 14.3 |
| half-life (hr) | 1.46 | 900 | 1.8E+003 | 8.1E+003 |
| emissions (kg/hr) | 1000 | 1000 | 1000 | 0 |
| fugacity (atm) | 1.36E-026 | 3.71E-028 | 5.47E-029 | 4.58E-028 |
reaction (kg/hr) |
1.24E-003 | 437 | 1.9E+003 | 78.6 |
advection (kg/hr) |
2.62E-005 | 568 | 0 | 18.4 |
reaction (%) |
4.14E-005 | 14.6 | 63.3 | 2.62 |
advection (%) |
8.74E-007 | 18.9 | 0 | 0.613 |
persistence time: 2.14E+003 hr
reaction time: 2.66E+003 hr
advection time: 1.09E+003 hr
percent reacted: 80.5
percent advected: 19.5
half-lives (hr), (based upon Biowin and Aopwin):
air: 1.464
water: 900
soil: 1800
sediment: 8100
biowin estimate: 2.423 (weeks-months)
advection time:
air: 100
water: 1000
sediment: 5E+004
Applicant's summary and conclusion
- Conclusions:
- According to the calculated distribution quinine dihydrochloride mainly retains to soil.
- Executive summary:
According to the fugacity model, Level III, the distribution of quinine dihydrochloride to air - water - soil - sediment is 0.0000000409 - 8.85 - 76.8 - 14.3 %. These results show, that the majority retains in soil, while there is low amount available in the air, water and sediments.
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