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Adsorption / desorption

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Endpoint:
adsorption / desorption
Remarks:
adsorption
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
supporting study
Justification for type of information:
D-Limonene is one of the main constituents of multiconstituent substance REACTION MASS OF BETA-PHELLANDRENE AND D-LIMONENE AND L-LIMONENE. Therefore, data on d-limonene can be used for extrapolation to REACTION MASS OF BETA-PHELLANDRENE AND D-LIMONENE AND L-LIMONENE. See read-across justification document in section 13.
Reason / purpose:
read-across source
Key result
Type:
Koc
Value:
6 324 L/kg
Transformation products:
no
Validity criteria fulfilled:
yes
Conclusions:
The Koc of d-limonene predicted from log Kow is 6324 L/kg.
Executive summary:

Koc has been predicted by KOCWIN v2.00 from EPISUITE 4.1 software.

The Koc of d-limonene predicted from the log Kow is 6324 L/kg (Input log Kow = 4.38).

Endpoint:
adsorption / desorption
Remarks:
adsorption
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
supporting study
Justification for type of information:
D-Limonene is one of the main constituents of multiconstituent substance REACTION MASS OF BETA-PHELLANDRENE AND D-LIMONENE AND L-LIMONENE. Therefore, data on d-limonene can be used for extrapolation to REACTION MASS OF BETA-PHELLANDRENE AND D-LIMONENE AND L-LIMONENE. See read-across justification document in section 13.
Reason / purpose:
read-across source
Key result
Type:
Koc
Value:
1 120 L/kg
Transformation products:
no
Validity criteria fulfilled:
yes
Conclusions:
The Koc of d-limonene predicted from log Kow is 1120 L/kg.
Executive summary:

Koc has been predicted by KOCWIN v2.00 from EPISUITE 4.1 software.

The Molecular Connectivity Index method predicted the following Koc is 1120 L/kg.

Endpoint:
adsorption / desorption
Remarks:
adsorption
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
supporting study
Justification for type of information:
D-Limonene is one of the main constituents of multiconstituent substance REACTION MASS OF BETA-PHELLANDRENE AND D-LIMONENE AND L-LIMONENE. Therefore, data on d-limonene can be used for extrapolation to REACTION MASS OF BETA-PHELLANDRENE AND D-LIMONENE AND L-LIMONENE. See read-across justification document in section 13.
Reason / purpose:
read-across source
Key result
Type:
Koc
Value:
1 984 L/kg
Transformation products:
no
Validity criteria fulfilled:
yes
Conclusions:
The Koc of d-limonene predicted from log Kow following equations of Sabljic and Güsten (1995) for non hydrophobic susbtances is 1984.0 L/Kg.
Executive summary:

Koc has been predicted by calculations from log Kow using equations of Sabljic and Güsten (1995) for non hydrophobic susbtances.

The Koc of d-limonene predicted from the log Kow is 1984 L/kg (log Kow = 4.38).

Description of key information

Adsorption of substance reaction mass of beta-phellandrene and d-limonene and l-limonene was based on data available on d-limonene, one of its main constituents.

Koc of d-limonene has been estimated by 3 QSAR methods.
1. with KOCWIN from EPISUITE 4.0 using CAS number as input and the Molecular Connectivity Method (MCI): Koc = 1120 L/kg
2. with KOCWIN from EPISUITE 4.0 using an experimental log Kow of 4.38 and CAS number 5989 -27 -5 as input: Koc = 6324 L/kg
3. with equation of Sabljic and Güsten (1995) for non hydrophobic susbtances as reported in TGD (2003) using a log Kow of 4.38: Koc = 1984 L/kg

The geometric mean of the 3 Koc predicted values is considered for chemical safety assessment = 2413 L/kg.

For further information on read-across justification, see section 13 "justification of read-across".

Key value for chemical safety assessment

Koc at 20 °C:
2 413

Additional information

ECHA Guidance (chapter R.7.a, paragraph R.7.1.15) recommends calculating the Koc endpoint value as the geometric mean of results obtained by means of QSARs.

This geometric mean value is considered as the endpoint defining the substance for adsorption and is used as input parameter for Environmental Risk Assessment.

[LogKoc: 3.383]