4,4'-Isopropylidenediphenol, ethoxylated, esters with fatty acids, coco

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

Study period:

2018-08-01 to 2018-08-02

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification

Justification for type of information:

1. SOFTWARE: QSAR Toolbox 4.1
2. MODEL (incl. version number): Koc (Log Kow) (EPISUITE) (v.1.0)
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CCCCCCCCCCCC(=O)OCCO
c1ccc(cc1)C(C)(C)c1c
cc(OCCOC(=O)CCCCCCCC
CCC)cc1
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
- Defined endpoint: partition cefficient
:
5. APPLICABILITY DOMAIN
No specific domain

6. ADEQUACY OF THE RESULT
Screening

Principles of method if other than guideline:

Principles of method if other than guideline
- Software tool(s) used including version: QSAR Toolbox 4.1
- Model(s) used: Koc (Log Kow) (EPISUITE) (v.1.0)
- Model description: Calculation approach (OECD principle 2 - Unambiguous algorithm): SAR/QSAR b
ased on calculator
- Justification of QSAR prediction: see field 'Justification for type of information', 'Attached justification'
and/or 'Cross-reference'

GLP compliance:

no

Type:

log Pow

Partition coefficient:

9.01

Remarks on result:

other: (Q)SAR

Conclusions:

The value determined by (Q)SAR is ca. 9.01

Key value for chemical safety assessment

Log Kow (Log Pow):

9.01

at the temperature of:

20 °C