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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: calculated with ACD labs software V11.02
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: QSAR
Title:
calculation of the partition coefficient
Author:
ACD labs
Year:
2010
Bibliographic source:
calculated with ACD labs software V11.02

Materials and methods

Test guideline
Qualifier:
equivalent or similar to guideline
Guideline:
other: (Q)SAR method
Deviations:
yes
Remarks:
calculated with ACD labs software V11.02, 2010
Principles of method if other than guideline:
calculated with ACD labs software V11.02, 2010
GLP compliance:
no
Type of method:
other: (Q)SAR method used
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
2-chloro-1,1,1-triethoxyethane
EC Number:
628-654-8
Cas Number:
51076-95-0
Molecular formula:
C8 H17 Cl O3
IUPAC Name:
2-chloro-1,1,1-triethoxyethane

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
>= 1.9 - <= 2.93
Temp.:
25 °C
Remarks on result:
other: calculation

Applicant's summary and conclusion