Registration Dossier

Administrative data

Endpoint:
adsorption / desorption, other
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
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

Data source

Reference
Reference Type:
other: QPRF
Title:
QPRF_Adsorption/desorption
Author:
CIRS
Year:
2017
Bibliographic source:
EPISUITE version 4.0, KOCWIN v2.0

Materials and methods

Principles of method if other than guideline:
QSAR

Test material

Constituent 1
Chemical structure
Reference substance name:
α,α-dimethylphenethyl acetate
EC Number:
205-781-3
EC Name:
α,α-dimethylphenethyl acetate
Cas Number:
151-05-3
Molecular formula:
C12H16O2
IUPAC Name:
1,1-dimethyl-2-phenylethyl acetate
Test material form:
solid

Results and discussion

Adsorption coefficientopen allclose all
Type:
log Koc
Value:
ca. 2.873 dimensionless
Type:
Koc
Value:
ca. 746.3 L/kg

Applicant's summary and conclusion