Registration Dossier
Registration Dossier
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EC number: 215-553-5 | CAS number: 1330-86-5
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- (Q)SAR
- Adequacy of study:
- other information
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- other: Accepted calculation method. Original calculation report not available.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- secondary source
- Title:
- Diesters Category of the Aliphatic Esters Chemicals (Test Plan and Robust Summaries for Substances in the HPV Test Plan)
- Author:
- US-EPA (American Chemistry Council's Aliphatic Esters Panel)
- Year:
- 2 010
- Bibliographic source:
- High Production Volume (HPV) Chemical Challenge Program (201-16837A and 201-16837B)
Materials and methods
- Model:
- other: Level III Fugacity Model
- Calculation programme:
- Calculation based on Level III Fugacity Model contained in Estimation Program Interface Suite™, v3.10. Syracuse Research Corporation, Syracuse, NY, USA
- Media:
- other: air - water - soil - sediment
Test material
- Reference substance name:
- Diisooctyl adipate
- EC Number:
- 215-553-5
- EC Name:
- Diisooctyl adipate
- Cas Number:
- 1330-86-5
- Molecular formula:
- C22H42O4
- IUPAC Name:
- 1,6-bis(2-methylheptyl) hexanedioate
- Details on test material:
- - Name of test material: Adipic acid, diisooctyl ester
- Smiles notation: CC(C)CCCCCOC(=O)CCCCC(=O)OCCCCCC(C)C
Constituent 1
Results and discussion
Percent distribution in media
- Air (%):
- 0.272
- Water (%):
- 3.51
- Soil (%):
- 27.3
- Sediment (%):
- 69
Applicant's summary and conclusion
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