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EC number: 227-813-5
CAS number: 5989-27-5
has been predicted by KOCWIN v2.00 from EPISUITE 4.1 software.
Koc of d-limonene predicted from the log Kow is 6324 L/kg (Input log Kow
Molecular Connectivity Index method predicted the following Koc is 1120
has been predicted by calculations from log Kow using equations of
Sabljic and Güsten (1995) for non hydrophobic susbtances.
Koc of d-limonene predicted from the log Kow is 1984 L/kg (log Kow =
Koc of d-limonene has been estimated by 3
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
The geometric mean of the 3 Koc predicted
values is considered for chemical safety assessment = 2413 L/kg.
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.
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