Methylcyclopentane

Adsorption / desorption

Link to relevant study record(s)

Reference

Endpoint:

adsorption / desorption: screening

Type of information:

(Q)SAR

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: see 'Remark'

Remarks:

Calculation of the log Koc to determine the potential for adsorption/desorption of chemicals is acceptable provided that a recognised and scientifically robust methos is used. The TGD includes a method for calculating a log Koc QSAR using the log Kow. This approach is considered to be acceptable with restrictions.

Justification for type of information:

A discussion and report on the read across strategy is given as an attachment in IUCLID Section 13.

Reason / purpose for cross-reference:

read-across: supporting information

Principles of method if other than guideline:

Calculated from Log Kow 4 and the TGD calculation of Koc = 0.81.Log Kow + 0.1.

GLP compliance:

no

Remarks:

Not applicable

Type of method:

other: QSAR

Media:

other: Not applicable

Specific details on test material used for the study:

Details on properties of test surrogate or analogue material (migrated information):
Not reported

Test temperature:

Not reported

Details on study design: HPLC method:

Not reported

Details on sampling:

Not reported

Details on matrix:

Not reported

Details on test conditions:

Not reported

Computational methods:

Not reported

Key result

Type:

Koc

Value:

2 187.76

Remarks on result:

other: Temperature and pH not specified

Key result

Type:

log Koc

Value:

3.34

Remarks on result:

other: Temperature and pH

Details on results (HPLC method):

Not reported

Adsorption and desorption constants:

Not reported

Recovery of test material:

Not reported

Concentration of test substance at end of adsorption equilibration period:

Not reported

Concentration of test substance at end of desorption equilibration period:

Not reported

Details on results (Batch equilibrium method):

Not reported

Statistics:

Not reported

Validity criteria fulfilled:

not applicable

Remarks:

Not applicable for QSARs

Conclusions:

N-hexane has a log Koc of 3.34.

Executive summary:

The Koc of N-hexane was calculated from Log Kow 4 using the TGD calculation of Koc = 0.81 . Log Kow + 0.1. The log koc of n-hexane is 3.34 and Koc of 2187.76. This calculation is considered reliable for assessment for the adsorption of hexane.

Description of key information

Adsorption / Desorption:

There is no data available for Methylcyclopentane. Based on a category-approach data are read-across to n-Hexane.

 

The log Koc of n-hexane was calculated to be 3.34.

 

Key value for chemical safety assessment

Koc at 20 °C:

2 187.76

Additional information

There is no data available for Methylcyclopentane. Data are read-across to structural analogue n-Hexane.

As the log Kow of methylcycopentane is >3 based on read across data, the adsorption/desorption endpoint cannot be waived. However, ECHA's Guidance on Information Requirements and Chemical Safety Assessment R7a Endpoint Specific Guidance (2008) indicates that before commissioning a new study alternative sources of data (e.g. QSAR) on the adsorption/desorption potential of a chemical should be used. The log Koc of n-hexane was calculated to be 3.34. This has been read across to methylcyclopentane.

[LogKoc: 3.34]