Registration Dossier

Administrative data

Endpoint:
adsorption / desorption: screening
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:
The substance is a hydrocarbon UVCB. Standard tests for this endpoint are intended for single substances and are not appropriate for this complex substance. However, this endpoint is characterised using quantitative structure property relationships for representative hydrocarbon structures that comprise the hydrocarbon blocks used to assess the environmental risk of this substance with the PETRORISK model (see Product Library in PETRORISK report attached in IUCLID section 13).

Data source

Reference
Reference Type:
other: calculation
Title:
PETRORISK spreadseet tool
Author:
CONCAWE
Year:
2019
Bibliographic source:
PETRORISK model, CONCAWE
Report date:
2019

Materials and methods

Test guideline
Qualifier:
no guideline required
Principles of method if other than guideline:
Model(s) used: PETRORISK v7.04 that incorporates the updated TLM that resulted from the 2014 – 2016 Concawe projects performed in response to an ECHA compliance check
GLP compliance:
no
Remarks:
(Q)SAR
Type of method:
other: Petrorisk

Test material

Constituent 1
Chemical structure
Reference substance name:
Hydrocarbons, C14-C18, n-alkanes, isoalkanes, cyclics, aromatics (2-30 %)
EC Number:
920-360-0
Cas Number:
1174522-18-9
Molecular formula:
None available - not a single isomer - see remarks
IUPAC Name:
Hydrocarbons, C14-C18, n-alkanes, isoalkanes, cyclics, aromatics (2-30 %)
Test material form:
liquid
Details on test material:
Name of substance: Hydrocarbons, C14-C18, n-alkanes, isoalkanes, cyclics, aromatics (2-30%)
EC# 920-360-0

Results and discussion

Adsorption coefficientopen allclose all
Key result
Type:
log Koc
Value:
>= 3.62 - <= 7.93 dimensionless
Remarks on result:
other: pH and temperature are not calculated
Key result
Type:
Koc
Value:
>= 4 168.69 - <= 85 113 803.82 dimensionless
Remarks on result:
other: pH and temperature are not calculated

Applicant's summary and conclusion

Validity criteria fulfilled:
not applicable
Conclusions:
Adsorption coefficient has been calculated using Petrorisk. The log Koc for this substance ranges from 3.62 - 7.93. The Koc for this substance ranges from 4.17 x10^3 - 8.51 x10^7.
Executive summary:

The substance is a hydrocarbon UVCB. Standard tests for this endpoint are intended for single substances and are not appropriate for this complex substance. However, this endpoint is characterised using quantitative structure property relationships for representative hydrocarbon structures that comprise the hydrocarbon blocks used to assess the environmental risk of this substance with the PETRORISK model (see Product Library in PETRORISK report attached in IUCLID section 13).

Adsorption coefficient has been calculated using Petrorisk. The log Koc for this substance ranges from 3.62 - 7.93.  The Koc for this substance ranges from 4.17 x10^3 - 8.51 x10^7.