Registration Dossier
Registration Dossier
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EC number: 273-110-1 | CAS number: 68938-03-4 The complex combination of hydrocarbons produced by the distillation of products from the hydrogenation of isononanal. It consists predominantly of C6 olefins and paraffins and C9 alcohols and aldehydes and boiling in the range of approximately 110°C to 202°C (230°F to 396°F).
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE
EpiSuite v. 4.11
2. MODEL (incl. version number)
Level III Fugacity Model
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
see attachment
Data source
Referenceopen allclose all
- Reference Type:
- other: QSAR calculation
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 996
- Reference Type:
- publication
- Title:
- Unnamed
- Year:
- 2 001
Materials and methods
- Model:
- calculation according to Mackay, Level III
- Calculation programme:
- Level III fugacity model contained in EPI Suite (v.4.00-4.10, ©2000-2008). The model is a direct adaptation of the method that was developed by Dr. Mackay.
Test material
- Reference substance name:
- Oxooil LS9
- IUPAC Name:
- Oxooil LS9
- Test material form:
- liquid
Constituent 1
Results and discussion
Percent distribution in media
- Air (%):
- 17.2
- Water (%):
- 80.6
- Soil (%):
- 0.75
- Sediment (%):
- 1.2
- Other distribution results:
- (weighted mean distribution)
Using actual release rates, persistence times in the environment ranging from 80.9 to 273 hours (3.4 – 11.4 days) are calculated.
Applicant's summary and conclusion
- Conclusions:
- The constituents of Oxooil LS9 will predominantly partition to the water compartment or will show volatilisation into air. Soil and Sediment are expected to be minor compartments for distribution. Using actual release rates, persistence times ranging from 80.9 to 273 hours (3.4 – 11.4 days) are calculated.
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