Registration Dossier
Registration Dossier
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EC number: 211-103-7 | CAS number: 629-70-9
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 08 March 2016
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Validated calculation method.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
- Model:
- calculation according to Mackay, Level III
- Calculation programme:
- EPISUITE
- Release year:
- 2 012
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Reference substance name:
- Hexadecyl acetate
- EC Number:
- 211-103-7
- EC Name:
- Hexadecyl acetate
- Cas Number:
- 629-70-9
- Molecular formula:
- C18H36O2
- IUPAC Name:
- hexadecyl acetate
Constituent 1
Study design
- Environmental properties:
- Molecular Wt: 284.49
Henry's LC : 0.0182 atm-m3/mole (HENRYWIN v3.20)
Log Kow: 8.66 (experimentally determined)
Log Koc: 5.65 (KOCWIN v2.00)
Results and discussion
Percent distribution in media
- Air (%):
- 1.07
- Water (%):
- 23.8
- Soil (%):
- 74.4
- Sediment (%):
- 0.739
Applicant's summary and conclusion
- Conclusions:
- The test item is predicted to partition mainly to soil (approximately 74.4 %).
- Executive summary:
Distribution of the test material was predicted using a Level III Fugacity Model. The substance is predicted to partition mainly to soil (approximately 74.4 %).
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