p-mentha-1,3-diene

Adsorption / desorption

Link to relevant study record(s)

Reference

Endpoint:

adsorption / desorption, other

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

Remarks:

Internationally accepted method, EPI-Suite, EPA (USA)

Justification for type of information:

See attached the QMRF and QPRF for the QSAR model.

Guideline:

other: REACH Guidance on QSARs R.6

Principles of method if other than guideline:

Meylan, W., P.H. Howard and R.S. Boethling, "Molecular Topology/Fragment Contribution Method for Predicting Soil Sorption Coefficients", Environ. Sci. Technol. 26: 1560-7 (1992).
SRC.1991. Group Contribution Method for Predicting Soil Sorption Coefficients. William Meylan & Philip H. Howard, Syracuse Research Corporation (June 3, 1991). EPA Contract No. 68-D8-0117 (Work Assignment 2-19); SRC F0118-219.

Specific details on test material used for the study:

SMILES: C(=CC=C(C1)C)(C1)C(C)C

Key result

Type:

Koc

Value:

1 120 L/kg

Remarks on result:

other: QSAR predicted value

Key result

Type:

log Koc

Value:

3.049 dimensionless

Remarks on result:

other: QSAR predicted value

KOCWIN predicted that the test compound has a Koc of 1120 L/kg and a log Koc of 3.0491.

Validity criteria fulfilled:

not applicable

Conclusions:

The estimated soil adsorption coefficient is (KOCWIN v2.00, MCI method): Koc: 1120 L/kg and Log Koc: 3.0491.

Executive summary:

The estimated soil adsorption coefficient is (KOCWIN v2.00, MCI method): Koc: 1120 L/kg and Log Koc: 3.0491.

Description of key information

Key study: EPI-Suite, KOCWIN v2.00. The estimated soil adsorption coefficient of the test substance is: Koc = 1120 L/kg and a Log Koc = 3.0491.

Key value for chemical safety assessment

Koc at 20 °C:

1 120