Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

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