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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: screening
Type of information:
(Q)SAR
Adequacy of study:
key study
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:
KOCWIN v2.00 was used to determine the Koc for the substance, using the logKow as the starting point.

Data source

Reference
Reference Type:
other: QSAR calculation
Title:
Unnamed
Year:
2018
Report date:
2018

Materials and methods

Test guideline
Guideline:
other: QSAR
Version / remarks:
KOCWIN v2.00 was used to determine the Koc for the substance, using the logKow as the starting point.
GLP compliance:
no
Remarks:
not applicable to calculation methods
Type of method:
other: QSAR

Test material

Constituent 1
Chemical structure
Reference substance name:
(Z)-α-[[2-(tert-butoxy)-1,1-dimethyl-2-oxoethoxy]imino]-2-(tritylamino)thiazol-4-acetic acid
EC Number:
272-056-6
EC Name:
(Z)-α-[[2-(tert-butoxy)-1,1-dimethyl-2-oxoethoxy]imino]-2-(tritylamino)thiazol-4-acetic acid
Cas Number:
68672-66-2
Molecular formula:
C32H33N3O5S
IUPAC Name:
(2Z)-2-({[1-(tert-butoxy)-2-methyl-1-oxopropan-2-yl]oxy}imino)-2-{2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl}acetic acid
Test material form:
solid: particulate/powder
Details on test material:
white powder

Results and discussion

Adsorption coefficient
Key result
Type:
Koc
Value:
ca. 3 474 L/kg

Applicant's summary and conclusion